2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

C19H34N2 — CID 114867392

IUPAC2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C19H34N2/c1-6-21(14-18-10-8-7-9-11-18)19(15-20,12-16(2)3)13-17(4)5/h7-11,16-17H,6,12-15,20H2,1-5H3
InChIKeyFQMQCAHCPAEOLH-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.30
Rot. Bonds9

About 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 114867392) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
PubChem CID114867392
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C19H34N2/c1-6-21(14-18-10-8-7-9-11-18)19(15-20,12-16(2)3)13-17(4)5/h7-11,16-17H,6,12-15,20H2,1-5H3
InChIKeyFQMQCAHCPAEOLH-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163
2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine
CID 79008492
2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 130979555
2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 79008228
4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 114867542
1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride
CID 173430538
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366107
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (CID 114867392) is 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is CCN(Cc1ccccc1)C(CN)(CC(C)C)CC(C)C.
What is the InChIKey of 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is FQMQCAHCPAEOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-21(14-18-10-8-7-9-11-18)19(15-20,12-16(2)3)13-17(4)5/h7-11,16-17H,6,12-15,20H2,1-5H3.
What are the key properties of 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 290.49 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 114867392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).