N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine

C11H21N — CID 163672798

IUPACN,2,3-trimethyl-N-prop-2-ynylpentan-3-amine
SMILESC#CCN(C)C(C)(CC)C(C)C
InChIInChI=1S/C11H21N/c1-7-9-12(6)11(5,8-2)10(3)4/h1,10H,8-9H2,2-6H3
InChIKeyJEAQPYPXDGHTKT-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.38
Rot. Bonds4

About N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine

N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine (PubChem CID 163672798) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-N-prop-2-ynylpentan-3-amine
PubChem CID163672798
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,2,3-trimethyl-N-prop-2-ynylpentan-3-amine
SMILESC#CCN(C)C(C)(CC)C(C)C
InChIInChI=1S/C11H21N/c1-7-9-12(6)11(5,8-2)10(3)4/h1,10H,8-9H2,2-6H3
InChIKeyJEAQPYPXDGHTKT-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine?
The IUPAC name of N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine (CID 163672798) is N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine.
What is the SMILES notation for N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine?
The canonical SMILES for N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine is C#CCN(C)C(C)(CC)C(C)C.
What is the InChIKey of N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine?
The InChIKey is JEAQPYPXDGHTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-7-9-12(6)11(5,8-2)10(3)4/h1,10H,8-9H2,2-6H3.
What are the key properties of N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine?
N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine has a molecular weight of 167.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-prop-2-ynylpentan-3-amine is sourced from PubChem (CID 163672798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).