N,6-dimethyl-N-prop-2-ynylheptan-2-amine

C12H23N — CID 24257

IUPACN,6-dimethyl-N-prop-2-ynylheptan-2-amine
SMILESC#CCN(C)C(C)CCCC(C)C
InChIInChI=1S/C12H23N/c1-6-10-13(5)12(4)9-7-8-11(2)3/h1,11-12H,7-10H2,2-5H3
InChIKeyCSWKXYFXOIHLGP-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.77
Rot. Bonds6

About N,6-dimethyl-N-prop-2-ynylheptan-2-amine

N,6-dimethyl-N-prop-2-ynylheptan-2-amine (PubChem CID 24257) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,6-dimethyl-N-prop-2-ynylheptan-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-prop-2-ynylheptan-2-amine
PubChem CID24257
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,6-dimethyl-N-prop-2-ynylheptan-2-amine
SMILESC#CCN(C)C(C)CCCC(C)C
InChIInChI=1S/C12H23N/c1-6-10-13(5)12(4)9-7-8-11(2)3/h1,11-12H,7-10H2,2-5H3
InChIKeyCSWKXYFXOIHLGP-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.77
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,6-dimethyl-N-prop-2-ynylheptan-2-amine?
The IUPAC name of N,6-dimethyl-N-prop-2-ynylheptan-2-amine (CID 24257) is N,6-dimethyl-N-prop-2-ynylheptan-2-amine.
What is the SMILES notation for N,6-dimethyl-N-prop-2-ynylheptan-2-amine?
The canonical SMILES for N,6-dimethyl-N-prop-2-ynylheptan-2-amine is C#CCN(C)C(C)CCCC(C)C.
What is the InChIKey of N,6-dimethyl-N-prop-2-ynylheptan-2-amine?
The InChIKey is CSWKXYFXOIHLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-10-13(5)12(4)9-7-8-11(2)3/h1,11-12H,7-10H2,2-5H3.
What are the key properties of N,6-dimethyl-N-prop-2-ynylheptan-2-amine?
N,6-dimethyl-N-prop-2-ynylheptan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-prop-2-ynylheptan-2-amine is sourced from PubChem (CID 24257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).