N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C12H27N3 — CID 81170922

IUPACN'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1(N)CCC1
InChIInChI=1S/C12H27N3/c1-4-8-15(10-9-14(2)3)11-12(13)6-5-7-12/h4-11,13H2,1-3H3
InChIKeyCLUUPTMWTXYZRQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds7

About N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 81170922) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID81170922
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1(N)CCC1
InChIInChI=1S/C12H27N3/c1-4-8-15(10-9-14(2)3)11-12(13)6-5-7-12/h4-11,13H2,1-3H3
InChIKeyCLUUPTMWTXYZRQ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 81170922) is N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)CC1(N)CCC1.
What is the InChIKey of N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is CLUUPTMWTXYZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-8-15(10-9-14(2)3)11-12(13)6-5-7-12/h4-11,13H2,1-3H3.
What are the key properties of N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 81170922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).