1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine

C12H24N2 — CID 146398853

IUPAC1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine
SMILESCC(C)(CCNC1CC(N)C1)C1CC1
InChIInChI=1S/C12H24N2/c1-12(2,9-3-4-9)5-6-14-11-7-10(13)8-11/h9-11,14H,3-8,13H2,1-2H3
InChIKeyUXCPZIPAENHSRY-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.89
Rot. Bonds5

About 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine

1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine (PubChem CID 146398853) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine
PubChem CID146398853
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine
SMILESCC(C)(CCNC1CC(N)C1)C1CC1
InChIInChI=1S/C12H24N2/c1-12(2,9-3-4-9)5-6-14-11-7-10(13)8-11/h9-11,14H,3-8,13H2,1-2H3
InChIKeyUXCPZIPAENHSRY-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
N-[4-(3-aminocyclobutyl)-3,3-dimethylbutyl]-4-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 167076432
N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine
CID 107138108
N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 81023448
N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106675122
N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63448545
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]ethanol
CID 43085230
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine
CID 81022684
1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine
CID 80559624
3-cyclopentyl-N-ethyl-3-methylbutan-1-amine
CID 81023788
3-[(3-aminocyclobutyl)amino]-N-cyclopropylpropanamide
CID 80562214

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine (CID 146398853) is 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine is CC(C)(CCNC1CC(N)C1)C1CC1.
What is the InChIKey of 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine?
The InChIKey is UXCPZIPAENHSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,9-3-4-9)5-6-14-11-7-10(13)8-11/h9-11,14H,3-8,13H2,1-2H3.
What are the key properties of 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine?
1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 146398853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).