N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine

C18H38N4O2 — CID 91395705

IUPACN,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine
SMILESCCCC(CCNC(C)(C)C(C)N=O)CCNC(C)(C)C(C)N=O
InChIInChI=1S/C18H38N4O2/c1-8-9-16(10-12-19-17(4,5)14(2)21-23)11-13-20-18(6,7)15(3)22-24/h14-16,19-20H,8-13H2,1-7H3
InChIKeyKKLOGPZQJOPRGH-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.23
Rot. Bonds14

About N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine

N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine (PubChem CID 91395705) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine
PubChem CID91395705
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC NameN,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine
SMILESCCCC(CCNC(C)(C)C(C)N=O)CCNC(C)(C)C(C)N=O
InChIInChI=1S/C18H38N4O2/c1-8-9-16(10-12-19-17(4,5)14(2)21-23)11-13-20-18(6,7)15(3)22-24/h14-16,19-20H,8-13H2,1-7H3
InChIKeyKKLOGPZQJOPRGH-UHFFFAOYSA-N
XLogP4.23
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide
CID 90860059
N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide
CID 123710899
N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine
CID 122700767
N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine
CID 159545234
2-(2-hydroxyethylamino)-2-methylhexan-3-ol
CID 21248469
2,8-dimethyl-5-propylnonane
CID 57014492
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272
N-[(3R)-3-methylhexyl]nitrous amide
CID 88966498
2,2,6,6-tetramethyl-4-propylheptane
CID 57492954
4-[2-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]heptanoic acid
CID 77033094
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
N,2-dimethylpropan-2-amine;2-methylpentanal
CID 153346269

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine?
The IUPAC name of N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine (CID 91395705) is N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine.
What is the SMILES notation for N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine?
The canonical SMILES for N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine is CCCC(CCNC(C)(C)C(C)N=O)CCNC(C)(C)C(C)N=O.
What is the InChIKey of N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine?
The InChIKey is KKLOGPZQJOPRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-8-9-16(10-12-19-17(4,5)14(2)21-23)11-13-20-18(6,7)15(3)22-24/h14-16,19-20H,8-13H2,1-7H3.
What are the key properties of N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine?
N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine has a molecular weight of 342.53 g/mol, XLogP of 4.23, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methyl-3-nitrosobutan-2-yl)-3-propylpentane-1,5-diamine is sourced from PubChem (CID 91395705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).