N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine

C10H23N3 — CID 103562986

IUPACN-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine
SMILESCC1CC(CN)(NCCN(C)C)C1
InChIInChI=1S/C10H23N3/c1-9-6-10(7-9,8-11)12-4-5-13(2)3/h9,12H,4-8,11H2,1-3H3
InChIKeyFLPRIEJHZMDXMQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.26
Rot. Bonds5

About N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine

N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 103562986) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID103562986
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine
SMILESCC1CC(CN)(NCCN(C)C)C1
InChIInChI=1S/C10H23N3/c1-9-6-10(7-9,8-11)12-4-5-13(2)3/h9,12H,4-8,11H2,1-3H3
InChIKeyFLPRIEJHZMDXMQ-UHFFFAOYSA-N
XLogP0.26
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine
CID 79520919
N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 65383114
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408
1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61001659
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclobutan-1-amine
CID 106173190
1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 62542038
[1-[2-(diethylamino)ethylamino]-3-methylcyclobutyl]methanol
CID 103564776
4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
CID 106841329
1-(aminomethyl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 62066180
1-(aminomethyl)-N-but-3-ynyl-3-methylcyclohexan-1-amine
CID 116641321
methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate
CID 54895132
1-(aminomethyl)-N-[4-(dimethylamino)butyl]-4-methylcyclohexane-1-carboxamide
CID 115442031

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine (CID 103562986) is N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine is CC1CC(CN)(NCCN(C)C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FLPRIEJHZMDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9-6-10(7-9,8-11)12-4-5-13(2)3/h9,12H,4-8,11H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 103562986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).