1-methyl-N-pent-4-ynylpiperidin-4-amine

C11H20N2 — CID 115677396

IUPAC1-methyl-N-pent-4-ynylpiperidin-4-amine
SMILESC#CCCCNC1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-3-4-5-8-12-11-6-9-13(2)10-7-11/h1,11-12H,4-10H2,2H3
InChIKeyAQDOMQXTNFHNSK-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds4

About 1-methyl-N-pent-4-ynylpiperidin-4-amine

1-methyl-N-pent-4-ynylpiperidin-4-amine (PubChem CID 115677396) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-methyl-N-pent-4-ynylpiperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-pent-4-ynylpiperidin-4-amine
PubChem CID115677396
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-methyl-N-pent-4-ynylpiperidin-4-amine
SMILESC#CCCCNC1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-3-4-5-8-12-11-6-9-13(2)10-7-11/h1,11-12H,4-10H2,2H3
InChIKeyAQDOMQXTNFHNSK-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
1-ethyl-N-pent-4-ynylazepan-4-amine
CID 106220583
N-[2-(1-methylpiperidin-4-yl)ethyl]pent-4-yn-1-amine
CID 114515637
N-pent-4-ynyloxan-4-amine
CID 115656501
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783
N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
CID 115694258
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 103903646

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pent-4-ynylpiperidin-4-amine?
The IUPAC name of 1-methyl-N-pent-4-ynylpiperidin-4-amine (CID 115677396) is 1-methyl-N-pent-4-ynylpiperidin-4-amine.
What is the SMILES notation for 1-methyl-N-pent-4-ynylpiperidin-4-amine?
The canonical SMILES for 1-methyl-N-pent-4-ynylpiperidin-4-amine is C#CCCCNC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-pent-4-ynylpiperidin-4-amine?
The InChIKey is AQDOMQXTNFHNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-5-8-12-11-6-9-13(2)10-7-11/h1,11-12H,4-10H2,2H3.
What are the key properties of 1-methyl-N-pent-4-ynylpiperidin-4-amine?
1-methyl-N-pent-4-ynylpiperidin-4-amine has a molecular weight of 180.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pent-4-ynylpiperidin-4-amine is sourced from PubChem (CID 115677396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).