N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine

C21H38N2 — CID 59849259

IUPACN-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CN(CCCN(Cc1ccccc1)C(C)C)CC(C)C
InChIInChI=1S/C21H38N2/c1-18(2)15-22(16-19(3)4)13-10-14-23(20(5)6)17-21-11-8-7-9-12-21/h7-9,11-12,18-20H,10,13-17H2,1-6H3
InChIKeyPZZLZUKYSDRBBK-UHFFFAOYSA-N
MW318.55 g/mol
LogP4.90
Rot. Bonds11

About N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine

N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine (PubChem CID 59849259) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
PubChem CID59849259
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC NameN-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CN(CCCN(Cc1ccccc1)C(C)C)CC(C)C
InChIInChI=1S/C21H38N2/c1-18(2)15-22(16-19(3)4)13-10-14-23(20(5)6)17-21-11-8-7-9-12-21/h7-9,11-12,18-20H,10,13-17H2,1-6H3
InChIKeyPZZLZUKYSDRBBK-UHFFFAOYSA-N
XLogP4.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61289329
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CID 28597865
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
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N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
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N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423459
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
CID 155935553
N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 66222971
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62561843
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CID 63321844

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine (CID 59849259) is N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine is CC(C)CN(CCCN(Cc1ccccc1)C(C)C)CC(C)C.
What is the InChIKey of N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is PZZLZUKYSDRBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2/c1-18(2)15-22(16-19(3)4)13-10-14-23(20(5)6)17-21-11-8-7-9-12-21/h7-9,11-12,18-20H,10,13-17H2,1-6H3.
What are the key properties of N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 318.55 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 59849259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).