N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

C16H31N3 — CID 63009405

IUPACN-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESC=CCNCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H31N3/c1-3-8-17-13-15(2)19-11-6-16(7-12-19)14-18-9-4-5-10-18/h3,15-17H,1,4-14H2,2H3
InChIKeyCDQGYGRRMWFBSX-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.96
Rot. Bonds7

About N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (PubChem CID 63009405) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
PubChem CID63009405
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESC=CCNCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H31N3/c1-3-8-17-13-15(2)19-11-6-16(7-12-19)14-18-9-4-5-10-18/h3,15-17H,1,4-14H2,2H3
InChIKeyCDQGYGRRMWFBSX-UHFFFAOYSA-N
XLogP1.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62556941
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propyl]cyclopentanamine
CID 63009402
N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63007462
N-ethyl-3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007428
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
CID 64720827
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-1-amine
CID 63009584
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-prop-2-enylpropan-1-amine
CID 79936605
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine
CID 66371810
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
CID 64706192
2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62557815

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (CID 63009405) is N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is C=CCNCC(C)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is CDQGYGRRMWFBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-8-17-13-15(2)19-11-6-16(7-12-19)14-18-9-4-5-10-18/h3,15-17H,1,4-14H2,2H3.
What are the key properties of N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 63009405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).