1-(4-propylheptan-4-yl)aziridine

C12H25N — CID 3049110

IUPAC1-(4-propylheptan-4-yl)aziridine
SMILESCCCC(CCC)(CCC)N1CC1
InChIInChI=1S/C12H25N/c1-4-7-12(8-5-2,9-6-3)13-10-11-13/h4-11H2,1-3H3
InChIKeyKIPUQPQBOINFRD-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.44
Rot. Bonds7

About 1-(4-propylheptan-4-yl)aziridine

1-(4-propylheptan-4-yl)aziridine (PubChem CID 3049110) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(4-propylheptan-4-yl)aziridine.

Molecular Properties

Compound Name1-(4-propylheptan-4-yl)aziridine
PubChem CID3049110
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(4-propylheptan-4-yl)aziridine
SMILESCCCC(CCC)(CCC)N1CC1
InChIInChI=1S/C12H25N/c1-4-7-12(8-5-2,9-6-3)13-10-11-13/h4-11H2,1-3H3
InChIKeyKIPUQPQBOINFRD-UHFFFAOYSA-N
XLogP3.44
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylhexan-3-yl)piperidine
CID 156519232
3-piperazin-1-yl-3-propylhexan-1-amine
CID 174733050
2-propyl-2-pyrrolidin-1-ylpentan-1-amine
CID 24709815
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-propylpentan-1-amine
CID 61440678
1-(2-methylpentan-2-yl)-4-propylpiperazine
CID 170790911
4-(4-benzyltetradecan-4-yl)morpholine
CID 54485656
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998
2-(aziridin-1-yl)-2-butylheptanoic acid
CID 175159264
2-(3-ethylpiperidin-1-yl)-2-propylpentan-1-amine
CID 43584378
1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
1-methyl-4-(4-methylheptan-4-yl)piperazin-2-one
CID 138581109
4-(3-methylbutan-2-yl)-1-(2-methylpentan-2-yl)piperidine
CID 167228555

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylheptan-4-yl)aziridine?
The IUPAC name of 1-(4-propylheptan-4-yl)aziridine (CID 3049110) is 1-(4-propylheptan-4-yl)aziridine.
What is the SMILES notation for 1-(4-propylheptan-4-yl)aziridine?
The canonical SMILES for 1-(4-propylheptan-4-yl)aziridine is CCCC(CCC)(CCC)N1CC1.
What is the InChIKey of 1-(4-propylheptan-4-yl)aziridine?
The InChIKey is KIPUQPQBOINFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-7-12(8-5-2,9-6-3)13-10-11-13/h4-11H2,1-3H3.
What are the key properties of 1-(4-propylheptan-4-yl)aziridine?
1-(4-propylheptan-4-yl)aziridine has a molecular weight of 183.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylheptan-4-yl)aziridine is sourced from PubChem (CID 3049110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).