1-N-(3-phenylbutyl)cyclobutane-1,3-diamine

C14H22N2 — CID 80562292

IUPAC1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
SMILESCC(CCNC1CC(N)C1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-11(12-5-3-2-4-6-12)7-8-16-14-9-13(15)10-14/h2-6,11,13-14,16H,7-10,15H2,1H3
InChIKeyALQBRKYXOMTMNY-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.26
Rot. Bonds5

About 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine

1-N-(3-phenylbutyl)cyclobutane-1,3-diamine (PubChem CID 80562292) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
PubChem CID80562292
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
SMILESCC(CCNC1CC(N)C1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-11(12-5-3-2-4-6-12)7-8-16-14-9-13(15)10-14/h2-6,11,13-14,16H,7-10,15H2,1H3
InChIKeyALQBRKYXOMTMNY-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine
CID 81333598
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
N-(3-phenylbutyl)thian-3-amine
CID 62988894
2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
CID 79351956
1,1-dioxo-N-(3-phenylbutyl)thian-3-amine
CID 63922445
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718
N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103560913
1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine
CID 80559993
1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione
CID 55153501
4-[4-(cyclobutylamino)butan-2-yl]aniline
CID 104501639
3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine
CID 139827959

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine (CID 80562292) is 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine is CC(CCNC1CC(N)C1)c1ccccc1.
What is the InChIKey of 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine?
The InChIKey is ALQBRKYXOMTMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(12-5-3-2-4-6-12)7-8-16-14-9-13(15)10-14/h2-6,11,13-14,16H,7-10,15H2,1H3.
What are the key properties of 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine?
1-N-(3-phenylbutyl)cyclobutane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-phenylbutyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80562292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).