5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane

C20H38N2 — CID 174286180

IUPAC5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane
SMILESCC(C)CCC1CN(CC2CCN(C(C)C)CC2)CC2CC12
InChIInChI=1S/C20H38N2/c1-15(2)5-6-18-13-21(14-19-11-20(18)19)12-17-7-9-22(10-8-17)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyZKSPRIZTZYKEGI-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.11
Rot. Bonds6

About 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane

5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane (PubChem CID 174286180) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane
PubChem CID174286180
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane
SMILESCC(C)CCC1CN(CC2CCN(C(C)C)CC2)CC2CC12
InChIInChI=1S/C20H38N2/c1-15(2)5-6-18-13-21(14-19-11-20(18)19)12-17-7-9-22(10-8-17)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyZKSPRIZTZYKEGI-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane with MolForge

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Related Compounds

5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 171564586
ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
CID 155702576
5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 167617800
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 176562259
2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane (CID 174286180) is 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane is CC(C)CCC1CN(CC2CCN(C(C)C)CC2)CC2CC12.
What is the InChIKey of 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane?
The InChIKey is ZKSPRIZTZYKEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-15(2)5-6-18-13-21(14-19-11-20(18)19)12-17-7-9-22(10-8-17)16(3)4/h15-20H,5-14H2,1-4H3.
What are the key properties of 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane?
5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane has a molecular weight of 306.54 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 174286180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).