N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine

C12H26N2 — CID 84668493

IUPACN-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(C(C)C)CCNCC1
InChIInChI=1S/C12H26N2/c1-10(2)12(9-14-11(3)4)5-7-13-8-6-12/h10-11,13-14H,5-9H2,1-4H3
InChIKeyPNOSVMCZWGXNIO-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds4

About N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine

N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 84668493) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID84668493
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(C(C)C)CCNCC1
InChIInChI=1S/C12H26N2/c1-10(2)12(9-14-11(3)4)5-7-13-8-6-12/h10-11,13-14H,5-9H2,1-4H3
InChIKeyPNOSVMCZWGXNIO-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 58970518
N,N-dimethyl-1-(4-propan-2-ylpiperidin-4-yl)methanamine
CID 84659810
N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143226
N-[(1-propan-2-ylcyclopropyl)methyl]butan-2-amine
CID 103903233
1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 112743271
2,2-difluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981967
N-[(3-ethylpiperidin-3-yl)methyl]propan-2-amine
CID 63133337
1-(2-methylcyclopropyl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine
CID 106981993
3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine
CID 114113999
4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine
CID 106981968
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981820

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine (CID 84668493) is N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine is CC(C)NCC1(C(C)C)CCNCC1.
What is the InChIKey of N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is PNOSVMCZWGXNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)12(9-14-11(3)4)5-7-13-8-6-12/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine?
N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 84668493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).