1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine

C13H29N3 — CID 105414329

IUPAC1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H29N3/c1-12(14)7-5-10-16(4)11-13(15(2)3)8-6-9-13/h12H,5-11,14H2,1-4H3
InChIKeyQLRKWYVMHSNHAI-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds7

About 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine

1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine (PubChem CID 105414329) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
PubChem CID105414329
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H29N3/c1-12(14)7-5-10-16(4)11-13(15(2)3)8-6-9-13/h12H,5-11,14H2,1-4H3
InChIKeyQLRKWYVMHSNHAI-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine (CID 105414329) is 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine is CC(N)CCCN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine?
The InChIKey is QLRKWYVMHSNHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(14)7-5-10-16(4)11-13(15(2)3)8-6-9-13/h12H,5-11,14H2,1-4H3.
What are the key properties of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine?
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 105414329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).