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

C18H37N3 — CID 63009584

IUPACN-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
SMILESCCCNCCCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-3-10-19-11-6-7-17(2)21-14-8-18(9-15-21)16-20-12-4-5-13-20/h17-19H,3-16H2,1-2H3
InChIKeyMUFONTTYVLLOPH-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.96
Rot. Bonds9

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

N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine (PubChem CID 63009584) 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-1-amine.

Molecular Properties

Compound NameN-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
PubChem CID63009584
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC NameN-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
SMILESCCCNCCCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-3-10-19-11-6-7-17(2)21-14-8-18(9-15-21)16-20-12-4-5-13-20/h17-19H,3-16H2,1-2H3
InChIKeyMUFONTTYVLLOPH-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009499
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007603
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
CID 64706192
4-(4-methylazepan-1-yl)-N-propylpentan-1-amine
CID 55248637
N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63007462
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
CID 65286715
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine
CID 63008881
3-piperidin-1-yl-N-propylbutan-1-amine
CID 62425080
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
CID 64720827
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propyl]cyclopentanamine
CID 63009402
N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009405

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine?
The IUPAC name of N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine (CID 63009584) is N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine.
What is the SMILES notation for N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine?
The canonical SMILES for N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine is CCCNCCCC(C)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine?
The InChIKey is MUFONTTYVLLOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-3-10-19-11-6-7-17(2)21-14-8-18(9-15-21)16-20-12-4-5-13-20/h17-19H,3-16H2,1-2H3.
What are the key properties of N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine?
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine has a molecular weight of 295.52 g/mol, XLogP of 2.96, 9 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-1-amine is sourced from PubChem (CID 63009584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).