N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine

C17H29N3 — CID 66410016

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESc1cc(CNCC2(N3CCCCC3)CCCCC2)c[nH]1
InChIInChI=1S/C17H29N3/c1-3-8-17(9-4-1,20-11-5-2-6-12-20)15-19-14-16-7-10-18-13-16/h7,10,13,18-19H,1-6,8-9,11-12,14-15H2
InChIKeyAWEXSGNFGKMVAP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.29
Rot. Bonds5

About N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine

N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 66410016) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
PubChem CID66410016
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESc1cc(CNCC2(N3CCCCC3)CCCCC2)c[nH]1
InChIInChI=1S/C17H29N3/c1-3-8-17(9-4-1,20-11-5-2-6-12-20)15-19-14-16-7-10-18-13-16/h7,10,13,18-19H,1-6,8-9,11-12,14-15H2
InChIKeyAWEXSGNFGKMVAP-UHFFFAOYSA-N
XLogP3.29
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082
2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine
CID 131905433
1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 115686214
2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66409144
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115694288
N-[(4-methyloxan-4-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115686396
N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride
CID 21409916
1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129277
[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol
CID 115751845
3-[[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methylamino]methyl]benzoic acid
CID 122031653
N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine
CID 60692485

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine (CID 66410016) is N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine is c1cc(CNCC2(N3CCCCC3)CCCCC2)c[nH]1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is AWEXSGNFGKMVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-8-17(9-4-1,20-11-5-2-6-12-20)15-19-14-16-7-10-18-13-16/h7,10,13,18-19H,1-6,8-9,11-12,14-15H2.
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 66410016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).