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

C14H26N2 — CID 106640729

IUPACN-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine
SMILESC#CC(CC)N(CCC)CC1CCCNC1
InChIInChI=1S/C14H26N2/c1-4-10-16(14(5-2)6-3)12-13-8-7-9-15-11-13/h2,13-15H,4,6-12H2,1,3H3
InChIKeyQJTHUCAGLZLWIO-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds6

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

N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine (PubChem CID 106640729) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine
PubChem CID106640729
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine
SMILESC#CC(CC)N(CCC)CC1CCCNC1
InChIInChI=1S/C14H26N2/c1-4-10-16(14(5-2)6-3)12-13-8-7-9-15-11-13/h2,13-15H,4,6-12H2,1,3H3
InChIKeyQJTHUCAGLZLWIO-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-ethyl-N-(piperidin-3-ylmethyl)heptan-4-amine
CID 106624422
N-(piperidin-2-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106635971
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
2-[piperidin-4-ylmethyl(propyl)amino]butanenitrile
CID 79714214
N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616774
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625272
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108
N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640714
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile
CID 106638814

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine (CID 106640729) is N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine is C#CC(CC)N(CCC)CC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine?
The InChIKey is QJTHUCAGLZLWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-10-16(14(5-2)6-3)12-13-8-7-9-15-11-13/h2,13-15H,4,6-12H2,1,3H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine?
N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-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-1-yn-3-amine is sourced from PubChem (CID 106640729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).