1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine

C12H22N2 — CID 115725209

IUPAC1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine
SMILESC#CCC(C)NC1CCN(C)C(C)C1
InChIInChI=1S/C12H22N2/c1-5-6-10(2)13-12-7-8-14(4)11(3)9-12/h1,10-13H,6-9H2,2-4H3
InChIKeyRPYOOKPVDKRROW-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds3

About 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine

1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine (PubChem CID 115725209) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine
PubChem CID115725209
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine
SMILESC#CCC(C)NC1CCN(C)C(C)C1
InChIInChI=1S/C12H22N2/c1-5-6-10(2)13-12-7-8-14(4)11(3)9-12/h1,10-13H,6-9H2,2-4H3
InChIKeyRPYOOKPVDKRROW-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
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-heptan-2-yl-1,2-dimethylpiperidin-4-amine
CID 81301499
N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine
CID 115719082
N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107448786
1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 81343454
1,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine
CID 81343455
N-heptan-3-yl-1,2-dimethylpiperidin-4-amine
CID 81342937
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
1,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 81302365
1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 81333951
N-pent-4-yn-2-ylthian-4-amine
CID 115725201
4-(pent-4-yn-2-ylamino)cyclohexan-1-ol
CID 106595148

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine (CID 115725209) is 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine is C#CCC(C)NC1CCN(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine?
The InChIKey is RPYOOKPVDKRROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-10(2)13-12-7-8-14(4)11(3)9-12/h1,10-13H,6-9H2,2-4H3.
What are the key properties of 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine?
1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine is sourced from PubChem (CID 115725209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).