N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine

C19H34N2 — CID 62423459

IUPACN'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
SMILESCC(C)N(CCCCCNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H34N2/c1-17(2)21(16-18-12-8-6-9-13-18)15-11-7-10-14-20-19(3,4)5/h6,8-9,12-13,17,20H,7,10-11,14-16H2,1-5H3
InChIKeyQXOPUKDRNUKPGU-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.46
Rot. Bonds9

About N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine

N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine (PubChem CID 62423459) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
PubChem CID62423459
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
SMILESCC(C)N(CCCCCNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H34N2/c1-17(2)21(16-18-12-8-6-9-13-18)15-11-7-10-14-20-19(3,4)5/h6,8-9,12-13,17,20H,7,10-11,14-16H2,1-5H3
InChIKeyQXOPUKDRNUKPGU-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
CID 62423460
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753
1-[benzyl-[4-[7-[4-[benzyl(1-hydroxyethyl)amino]butylamino]heptylamino]butyl]amino]ethanol
CID 19757907
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
2-methyl-N-[2-[2-[[propan-2-yl(propyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463638
N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 62420127
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine (CID 62423459) is N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine is CC(C)N(CCCCCNC(C)(C)C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine?
The InChIKey is QXOPUKDRNUKPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-17(2)21(16-18-12-8-6-9-13-18)15-11-7-10-14-20-19(3,4)5/h6,8-9,12-13,17,20H,7,10-11,14-16H2,1-5H3.
What are the key properties of N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine?
N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 62423459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).