N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine

C18H37N3 — CID 64706192

IUPACN-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
SMILESCCCNC(C)CC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-4-9-19-16(2)14-17(3)21-12-7-18(8-13-21)15-20-10-5-6-11-20/h16-19H,4-15H2,1-3H3
InChIKeyACUWDFOBFAUFBY-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.96
Rot. Bonds8

About N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine

N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine (PubChem CID 64706192) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine.

Molecular Properties

Compound NameN-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
PubChem CID64706192
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC NameN-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
SMILESCCCNC(C)CC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-4-9-19-16(2)14-17(3)21-12-7-18(8-13-21)15-20-10-5-6-11-20/h16-19H,4-15H2,1-3H3
InChIKeyACUWDFOBFAUFBY-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007603
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
CID 64720827
N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64706614
4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine
CID 113417228
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propyl]cyclopentanamine
CID 63009402
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79932028
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
N-[1-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]propan-1-amine
CID 63855015
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine
CID 66391124
2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 63009895
N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63007462

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine?
The IUPAC name of N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine (CID 64706192) is N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine.
What is the SMILES notation for N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine?
The canonical SMILES for N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine is CCCNC(C)CC(C)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine?
The InChIKey is ACUWDFOBFAUFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-9-19-16(2)14-17(3)21-12-7-18(8-13-21)15-20-10-5-6-11-20/h16-19H,4-15H2,1-3H3.
What are the key properties of N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine?
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine has a molecular weight of 295.52 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine is sourced from PubChem (CID 64706192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).