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

C9H21N3 — CID 79520919

IUPACN-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1(CN)CCC1
InChIInChI=1S/C9H21N3/c1-12(2)7-6-11-9(8-10)4-3-5-9/h11H,3-8,10H2,1-2H3
InChIKeyQONWEVDGTWRPAZ-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.02
Rot. Bonds5

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

N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 79520919) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID79520919
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1(CN)CCC1
InChIInChI=1S/C9H21N3/c1-12(2)7-6-11-9(8-10)4-3-5-9/h11H,3-8,10H2,1-2H3
InChIKeyQONWEVDGTWRPAZ-UHFFFAOYSA-N
XLogP0.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine
CID 103562986
N-[4-(aminomethyl)-2-methyloxan-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 65383114
[1-(2,2-dimethylhydrazinyl)cyclobutyl]methanamine
CID 83011915
N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65383357
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol
CID 106841338
1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine
CID 79520652
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 65383770
[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol
CID 61337984
N-[4-(aminomethyl)-1,1-dioxothian-4-yl]-N',N'-diethylethane-1,2-diamine
CID 65385474

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine (CID 79520919) is N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1(CN)CCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QONWEVDGTWRPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-12(2)7-6-11-9(8-10)4-3-5-9/h11H,3-8,10H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 171.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79520919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).