N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

C16H33N3 — CID 63009499

IUPACN-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESCCCNCCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-2-8-17-9-5-12-18-13-6-16(7-14-18)15-19-10-3-4-11-19/h16-17H,2-15H2,1H3
InChIKeyDNTHVEFJVNHFKP-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds8

About N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (PubChem CID 63009499) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
PubChem CID63009499
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESCCCNCCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-2-8-17-9-5-12-18-13-6-16(7-14-18)15-19-10-3-4-11-19/h16-17H,2-15H2,1H3
InChIKeyDNTHVEFJVNHFKP-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
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-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine
CID 63008881
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
CID 61445469
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
1-[3-(propylamino)propyl]pyrrolidin-3-ol
CID 62942273
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (CID 63009499) is N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is CCCNCCCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is DNTHVEFJVNHFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-2-8-17-9-5-12-18-13-6-16(7-14-18)15-19-10-3-4-11-19/h16-17H,2-15H2,1H3.
What are the key properties of N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 63009499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).