3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine

C15H29N3 — CID 59979441

IUPAC3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine
SMILESCC1CCN2CN3CCC(CCCN)CC3C2C1
InChIInChI=1S/C15H29N3/c1-12-4-7-17-11-18-8-5-13(3-2-6-16)10-15(18)14(17)9-12/h12-15H,2-11,16H2,1H3
InChIKeyRTWNYDCRFZFEHX-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.88
Rot. Bonds3

About 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine

3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine (PubChem CID 59979441) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine
PubChem CID59979441
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine
SMILESCC1CCN2CN3CCC(CCCN)CC3C2C1
InChIInChI=1S/C15H29N3/c1-12-4-7-17-11-18-8-5-13(3-2-6-16)10-15(18)14(17)9-12/h12-15H,2-11,16H2,1H3
InChIKeyRTWNYDCRFZFEHX-UHFFFAOYSA-N
XLogP1.88
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyloctahydropyrrolo[1,2-a]pyrazine
CID 3360111
2-Fluoro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 123669916
2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163854371
3-(2,4-Difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586142
3-(2,3,4-Trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586163
3-(4-Fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586182
3-(3,4-Difluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
CID 166586188
5,9-Diazatricyclo[6.2.1.04,9]undecane
CID 123749809
1-[(4-Fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium
CID 163124596
1-[(2-Fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium
CID 163124685
1-[(3-Fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
CID 163130578
1-[(4-Fluorocyclohexyl)methyl]-2-methyl-2,3,4,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-4-ium
CID 163130683

Frequently Asked Questions

What is the IUPAC name of 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine?
The IUPAC name of 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine (CID 59979441) is 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine?
The canonical SMILES for 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine is CC1CCN2CN3CCC(CCCN)CC3C2C1.
What is the InChIKey of 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine?
The InChIKey is RTWNYDCRFZFEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12-4-7-17-11-18-8-5-13(3-2-6-16)10-15(18)14(17)9-12/h12-15H,2-11,16H2,1H3.
What are the key properties of 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine?
3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine is sourced from PubChem (CID 59979441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).