(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide

C14H30N2O — CID 97027520

IUPAC(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide
SMILESCCCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C
InChIInChI=1S/C14H30N2O/c1-7-8-9-10-12(4)15-14(17)13(11(2)3)16(5)6/h11-13H,7-10H2,1-6H3,(H,15,17)/t12-,13+/m1/s1
InChIKeyRTBNEYLNLMZKIM-OLZOCXBDSA-N
MW242.41 g/mol
LogP2.66
Rot. Bonds8

About (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide

(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide (PubChem CID 97027520) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide
PubChem CID97027520
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide
SMILESCCCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C
InChIInChI=1S/C14H30N2O/c1-7-8-9-10-12(4)15-14(17)13(11(2)3)16(5)6/h11-13H,7-10H2,1-6H3,(H,15,17)/t12-,13+/m1/s1
InChIKeyRTBNEYLNLMZKIM-OLZOCXBDSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-heptan-2-yl-3-methylbutanamide
CID 71878401
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]hexanoic acid
CID 120614783
2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
2-amino-N-octan-2-ylbutanamide
CID 43711439
N-dodecan-2-ylpropanamide
CID 174988669
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide (CID 97027520) is (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide is CCCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide?
The InChIKey is RTBNEYLNLMZKIM-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-8-9-10-12(4)15-14(17)13(11(2)3)16(5)6/h11-13H,7-10H2,1-6H3,(H,15,17)/t12-,13+/m1/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide?
(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide has a molecular weight of 242.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 97027520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).