N,3-dimethyl-N-prop-1-ynylpentan-1-amine

C10H19N — CID 176700038

IUPACN,3-dimethyl-N-prop-1-ynylpentan-1-amine
SMILESCC#CN(C)CCC(C)CC
InChIInChI=1S/C10H19N/c1-5-8-11(4)9-7-10(3)6-2/h10H,6-7,9H2,1-4H3
InChIKeyWHMNEZZNAOOGPU-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds4

About N,3-dimethyl-N-prop-1-ynylpentan-1-amine

N,3-dimethyl-N-prop-1-ynylpentan-1-amine (PubChem CID 176700038) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N,3-dimethyl-N-prop-1-ynylpentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-prop-1-ynylpentan-1-amine
PubChem CID176700038
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN,3-dimethyl-N-prop-1-ynylpentan-1-amine
SMILESCC#CN(C)CCC(C)CC
InChIInChI=1S/C10H19N/c1-5-8-11(4)9-7-10(3)6-2/h10H,6-7,9H2,1-4H3
InChIKeyWHMNEZZNAOOGPU-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
CID 166139395
N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine
CID 155485839
7-methylnon-2-yne
CID 54177152
N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine
CID 163258522
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine
CID 114874682

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-prop-1-ynylpentan-1-amine?
The IUPAC name of N,3-dimethyl-N-prop-1-ynylpentan-1-amine (CID 176700038) is N,3-dimethyl-N-prop-1-ynylpentan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-prop-1-ynylpentan-1-amine?
The canonical SMILES for N,3-dimethyl-N-prop-1-ynylpentan-1-amine is CC#CN(C)CCC(C)CC.
What is the InChIKey of N,3-dimethyl-N-prop-1-ynylpentan-1-amine?
The InChIKey is WHMNEZZNAOOGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-8-11(4)9-7-10(3)6-2/h10H,6-7,9H2,1-4H3.
What are the key properties of N,3-dimethyl-N-prop-1-ynylpentan-1-amine?
N,3-dimethyl-N-prop-1-ynylpentan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-prop-1-ynylpentan-1-amine is sourced from PubChem (CID 176700038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).