2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

C17H38N2O — CID 114867563

IUPAC2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCCC(C)N(CCOC)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C17H38N2O/c1-8-16(6)19(9-10-20-7)17(13-18,11-14(2)3)12-15(4)5/h14-16H,8-13,18H2,1-7H3
InChIKeyOAMXAFOSYFWDOB-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.52
Rot. Bonds11

About 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 114867563) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
PubChem CID114867563
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCCC(C)N(CCOC)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C17H38N2O/c1-8-16(6)19(9-10-20-7)17(13-18,11-14(2)3)12-15(4)5/h14-16H,8-13,18H2,1-7H3
InChIKeyOAMXAFOSYFWDOB-UHFFFAOYSA-N
XLogP3.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine with MolForge

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Related Compounds

2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 66180809
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867556
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867538
2-N-(2-methoxyethyl)-2-N-propan-2-yl-2-propylpentane-1,2-diamine
CID 82948952
4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
CID 115576499
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
CID 114867441
2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine
CID 62539724
6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine
CID 116535238
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
CID 64693788
1-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylpropan-2-ol
CID 64821364
2-ethyl-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82951118

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (CID 114867563) is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is CCC(C)N(CCOC)C(CN)(CC(C)C)CC(C)C.
What is the InChIKey of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is OAMXAFOSYFWDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-8-16(6)19(9-10-20-7)17(13-18,11-14(2)3)12-15(4)5/h14-16H,8-13,18H2,1-7H3.
What are the key properties of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 286.50 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 114867563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).