1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine

C10H22N2 — CID 80561693

IUPAC1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine
SMILESCCC(C)CN(C)C1CC(N)C1
InChIInChI=1S/C10H22N2/c1-4-8(2)7-12(3)10-5-9(11)6-10/h8-10H,4-7,11H2,1-3H3
InChIKeyQCWZVVYMQRCLBE-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.45
Rot. Bonds4

About 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine

1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine (PubChem CID 80561693) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine
PubChem CID80561693
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine
SMILESCCC(C)CN(C)C1CC(N)C1
InChIInChI=1S/C10H22N2/c1-4-8(2)7-12(3)10-5-9(11)6-10/h8-10H,4-7,11H2,1-3H3
InChIKeyQCWZVVYMQRCLBE-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595
N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
CID 167242628
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine
CID 158562810
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 43295431
1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine
CID 80561789
1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine
CID 80561596
N'-cyclopentyl-N',2-dimethylpropane-1,3-diamine
CID 43266901
(1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine
CID 166963473
4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 60847602
N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
CID 166800950

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine (CID 80561693) is 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine is CCC(C)CN(C)C1CC(N)C1.
What is the InChIKey of 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine?
The InChIKey is QCWZVVYMQRCLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-8(2)7-12(3)10-5-9(11)6-10/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine?
1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80561693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).