N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C19H34N2 — CID 43757523

IUPACN-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCCCC(NCCN(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C19H34N2/c1-6-7-13-19(18-11-9-8-10-12-18)20-14-15-21(16(2)3)17(4)5/h8-12,16-17,19-20H,6-7,13-15H2,1-5H3
InChIKeyDLFBNQOKDAIBPQ-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.63
Rot. Bonds10

About N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43757523) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43757523
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCCCC(NCCN(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C19H34N2/c1-6-7-13-19(18-11-9-8-10-12-18)20-14-15-21(16(2)3)17(4)5/h8-12,16-17,19-20H,6-7,13-15H2,1-5H3
InChIKeyDLFBNQOKDAIBPQ-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63983409

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43757523) is N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CCCCC(NCCN(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is DLFBNQOKDAIBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-7-13-19(18-11-9-8-10-12-18)20-14-15-21(16(2)3)17(4)5/h8-12,16-17,19-20H,6-7,13-15H2,1-5H3.
What are the key properties of N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43757523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).