N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide

C19H40N4O2 — CID 118357196

IUPACN,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide
SMILESCC(N)CC(C)CNC(=O)C(C)CC(C)C(=O)NCC(C)CC(C)N
InChIInChI=1S/C19H40N4O2/c1-12(7-16(5)20)10-22-18(24)14(3)9-15(4)19(25)23-11-13(2)8-17(6)21/h12-17H,7-11,20-21H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyYZUBBDJANIJLPF-UHFFFAOYSA-N
MW356.56 g/mol
LogP1.63
Rot. Bonds12

About N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide

N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide (PubChem CID 118357196) has the molecular formula C19H40N4O2 and a molecular weight of 356.56 g/mol. Its IUPAC name is N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide.

Molecular Properties

Compound NameN,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide
PubChem CID118357196
Molecular FormulaC19H40N4O2
Molecular Weight356.56 g/mol
Exact Mass356.32
IUPAC NameN,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide
SMILESCC(N)CC(C)CNC(=O)C(C)CC(C)C(=O)NCC(C)CC(C)N
InChIInChI=1S/C19H40N4O2/c1-12(7-16(5)20)10-22-18(24)14(3)9-15(4)19(25)23-11-13(2)8-17(6)21/h12-17H,7-11,20-21H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyYZUBBDJANIJLPF-UHFFFAOYSA-N
XLogP1.63
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81478398
2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide
CID 129056224
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid
CID 94036784
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
CID 119799959
ethane;N-ethyl-2-methylbutanamide
CID 145471862

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide?
The IUPAC name of N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide (CID 118357196) is N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide.
What is the SMILES notation for N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide?
The canonical SMILES for N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide is CC(N)CC(C)CNC(=O)C(C)CC(C)C(=O)NCC(C)CC(C)N.
What is the InChIKey of N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide?
The InChIKey is YZUBBDJANIJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O2/c1-12(7-16(5)20)10-22-18(24)14(3)9-15(4)19(25)23-11-13(2)8-17(6)21/h12-17H,7-11,20-21H2,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide?
N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide has a molecular weight of 356.56 g/mol, XLogP of 1.63, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide is sourced from PubChem (CID 118357196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).