6-amino-2-methyl-N-prop-2-ynylheptanamide

C11H20N2O — CID 65292646

IUPAC6-amino-2-methyl-N-prop-2-ynylheptanamide
SMILESC#CCNC(=O)C(C)CCCC(C)N
InChIInChI=1S/C11H20N2O/c1-4-8-13-11(14)9(2)6-5-7-10(3)12/h1,9-10H,5-8,12H2,2-3H3,(H,13,14)
InChIKeyQPIROIKTYVFTTL-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.89
Rot. Bonds6

About 6-amino-2-methyl-N-prop-2-ynylheptanamide

6-amino-2-methyl-N-prop-2-ynylheptanamide (PubChem CID 65292646) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-amino-2-methyl-N-prop-2-ynylheptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-prop-2-ynylheptanamide
PubChem CID65292646
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name6-amino-2-methyl-N-prop-2-ynylheptanamide
SMILESC#CCNC(=O)C(C)CCCC(C)N
InChIInChI=1S/C11H20N2O/c1-4-8-13-11(14)9(2)6-5-7-10(3)12/h1,9-10H,5-8,12H2,2-3H3,(H,13,14)
InChIKeyQPIROIKTYVFTTL-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-methyl-N-propylheptanamide
CID 65292773
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
CID 83109295
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
CID 106841939
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 65292561
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
2,4-dimethyl-N'-prop-2-ynylpentanediamide
CID 153419083
6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide
CID 65292407
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide
CID 107221399

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-prop-2-ynylheptanamide?
The IUPAC name of 6-amino-2-methyl-N-prop-2-ynylheptanamide (CID 65292646) is 6-amino-2-methyl-N-prop-2-ynylheptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-prop-2-ynylheptanamide?
The canonical SMILES for 6-amino-2-methyl-N-prop-2-ynylheptanamide is C#CCNC(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-2-methyl-N-prop-2-ynylheptanamide?
The InChIKey is QPIROIKTYVFTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-8-13-11(14)9(2)6-5-7-10(3)12/h1,9-10H,5-8,12H2,2-3H3,(H,13,14).
What are the key properties of 6-amino-2-methyl-N-prop-2-ynylheptanamide?
6-amino-2-methyl-N-prop-2-ynylheptanamide has a molecular weight of 196.29 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-prop-2-ynylheptanamide is sourced from PubChem (CID 65292646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).