N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine

C14H26N2 — CID 106640928

IUPACN-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine
SMILESCC#CCCN(CCC)CC1CCCNC1
InChIInChI=1S/C14H26N2/c1-3-5-6-11-16(10-4-2)13-14-8-7-9-15-12-14/h14-15H,4,6-13H2,1-2H3
InChIKeyXJFIRGYKYXHOKU-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds6

About N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine

N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine (PubChem CID 106640928) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine
PubChem CID106640928
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine
SMILESCC#CCCN(CCC)CC1CCCNC1
InChIInChI=1S/C14H26N2/c1-3-5-6-11-16(10-4-2)13-14-8-7-9-15-12-14/h14-15H,4,6-13H2,1-2H3
InChIKeyXJFIRGYKYXHOKU-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine
CID 106638166
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432
N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 113267802
3-[2-methoxyethyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554321
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106640717
1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
CID 106640651
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine (CID 106640928) is N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine is CC#CCCN(CCC)CC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine?
The InChIKey is XJFIRGYKYXHOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-5-6-11-16(10-4-2)13-14-8-7-9-15-12-14/h14-15H,4,6-13H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine?
N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 106640928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).