6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide

C14H28N2O — CID 65291847

IUPAC6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide
SMILESC=CCN(C(=O)C(C)CCCC(C)N)C(C)C
InChIInChI=1S/C14H28N2O/c1-6-10-16(11(2)3)14(17)12(4)8-7-9-13(5)15/h6,11-13H,1,7-10,15H2,2-5H3
InChIKeyKLUQKLRNRNIDCU-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.56
Rot. Bonds8

About 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide

6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide (PubChem CID 65291847) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide
PubChem CID65291847
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide
SMILESC=CCN(C(=O)C(C)CCCC(C)N)C(C)C
InChIInChI=1S/C14H28N2O/c1-6-10-16(11(2)3)14(17)12(4)8-7-9-13(5)15/h6,11-13H,1,7-10,15H2,2-5H3
InChIKeyKLUQKLRNRNIDCU-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide
CID 65291353
1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine
CID 82854057
2-(methylamino)-N-propan-2-yl-N-prop-2-enylpropanamide
CID 62638239
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
3-methyl-1-propan-2-yl-1-prop-2-enylurea
CID 115588417
3-[(6-amino-2-methylheptanoyl)-methylamino]propanoic acid
CID 65291161
(2S)-N,N,2-trimethylhept-6-enamide
CID 89146514
6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide
CID 102992830
10-aminoundec-1-en-6-one
CID 116610182
O-ethyl N-propan-2-yl-N-prop-2-enylcarbamothioate
CID 175747241
6-amino-N-(dicyclopropylmethyl)-2-methylheptanamide
CID 65291779
3-tert-butyl-1-propan-2-yl-1-prop-2-enylurea
CID 115585835

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide?
The IUPAC name of 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide (CID 65291847) is 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide?
The canonical SMILES for 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide is C=CCN(C(=O)C(C)CCCC(C)N)C(C)C.
What is the InChIKey of 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide?
The InChIKey is KLUQKLRNRNIDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-10-16(11(2)3)14(17)12(4)8-7-9-13(5)15/h6,11-13H,1,7-10,15H2,2-5H3.
What are the key properties of 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide?
6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide has a molecular weight of 240.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide is sourced from PubChem (CID 65291847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).