1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine

C14H28N4O — CID 81490108

IUPAC1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCCCCc1noc(CN(C)CCC(N)C(C)C)n1
InChIInChI=1S/C14H28N4O/c1-5-6-7-13-16-14(19-17-13)10-18(4)9-8-12(15)11(2)3/h11-12H,5-10,15H2,1-4H3
InChIKeyKVNOTZROHCLPOU-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.22
Rot. Bonds9

About 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 81490108) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID81490108
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCCCCc1noc(CN(C)CCC(N)C(C)C)n1
InChIInChI=1S/C14H28N4O/c1-5-6-7-13-16-14(19-17-13)10-18(4)9-8-12(15)11(2)3/h11-12H,5-10,15H2,1-4H3
InChIKeyKVNOTZROHCLPOU-UHFFFAOYSA-N
XLogP2.22
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine (CID 81490108) is 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine is CCCCc1noc(CN(C)CCC(N)C(C)C)n1.
What is the InChIKey of 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is KVNOTZROHCLPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-6-7-13-16-14(19-17-13)10-18(4)9-8-12(15)11(2)3/h11-12H,5-10,15H2,1-4H3.
What are the key properties of 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 81490108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).