1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine

C15H26N2O — CID 83961389

IUPAC1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine
SMILESCCCCC(N)CNc1cccc(OC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-4-5-7-13(16)11-17-14-8-6-9-15(10-14)18-12(2)3/h6,8-10,12-13,17H,4-5,7,11,16H2,1-3H3
InChIKeyCIZBKSMTIQQTGF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.40
Rot. Bonds8

About 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine

1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine (PubChem CID 83961389) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine
PubChem CID83961389
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine
SMILESCCCCC(N)CNc1cccc(OC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-4-5-7-13(16)11-17-14-8-6-9-15(10-14)18-12(2)3/h6,8-10,12-13,17H,4-5,7,11,16H2,1-3H3
InChIKeyCIZBKSMTIQQTGF-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-fluorophenyl)hexane-1,2-diamine
CID 83951003
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808553
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
1-N-(3-chloro-4-methylphenyl)hexane-1,2-diamine
CID 83951009
1-N-[4-(propan-2-ylsulfanylmethyl)phenyl]hexane-1,2-diamine
CID 83961130
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
methyl 2-(3-propan-2-yloxyanilino)acetate
CID 19829935

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine?
The IUPAC name of 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine (CID 83961389) is 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine?
The canonical SMILES for 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine is CCCCC(N)CNc1cccc(OC(C)C)c1.
What is the InChIKey of 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine?
The InChIKey is CIZBKSMTIQQTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-7-13(16)11-17-14-8-6-9-15(10-14)18-12(2)3/h6,8-10,12-13,17H,4-5,7,11,16H2,1-3H3.
What are the key properties of 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine?
1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine is sourced from PubChem (CID 83961389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).