1-(4-propan-2-ylphenyl)butane-1,3-diamine

C13H22N2 — CID 116933197

IUPAC1-(4-propan-2-ylphenyl)butane-1,3-diamine
SMILESCC(N)CC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H22N2/c1-9(2)11-4-6-12(7-5-11)13(15)8-10(3)14/h4-7,9-10,13H,8,14-15H2,1-3H3
InChIKeyOMKYGRZEJORLIO-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-propan-2-ylphenyl)butane-1,3-diamine

1-(4-propan-2-ylphenyl)butane-1,3-diamine (PubChem CID 116933197) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)butane-1,3-diamine
PubChem CID116933197
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(4-propan-2-ylphenyl)butane-1,3-diamine
SMILESCC(N)CC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H22N2/c1-9(2)11-4-6-12(7-5-11)13(15)8-10(3)14/h4-7,9-10,13H,8,14-15H2,1-3H3
InChIKeyOMKYGRZEJORLIO-UHFFFAOYSA-N
XLogP2.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459
2,4-diamino-4-(4-propan-2-ylphenyl)butanoic acid
CID 116942627
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
1-(3,4-difluorophenyl)butane-1,3-diamine
CID 116933240
3-amino-3-(4-propan-2-ylphenyl)propanenitrile
CID 55271456
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)butane-1,3-diamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)butane-1,3-diamine (CID 116933197) is 1-(4-propan-2-ylphenyl)butane-1,3-diamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)butane-1,3-diamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)butane-1,3-diamine is CC(N)CC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)butane-1,3-diamine?
The InChIKey is OMKYGRZEJORLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(2)11-4-6-12(7-5-11)13(15)8-10(3)14/h4-7,9-10,13H,8,14-15H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)butane-1,3-diamine?
1-(4-propan-2-ylphenyl)butane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)butane-1,3-diamine is sourced from PubChem (CID 116933197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).