6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine

C12H26N2 — CID 167270621

IUPAC6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(C)CC(C)CCN1CC1
InChIInChI=1S/C12H26N2/c1-4-6-13-12(3)10-11(2)5-7-14-8-9-14/h11-13H,4-10H2,1-3H3
InChIKeyJFJXFEKNYHMDEF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds8

About 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine

6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine (PubChem CID 167270621) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine
PubChem CID167270621
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(C)CC(C)CCN1CC1
InChIInChI=1S/C12H26N2/c1-4-6-13-12(3)10-11(2)5-7-14-8-9-14/h11-13H,4-10H2,1-3H3
InChIKeyJFJXFEKNYHMDEF-UHFFFAOYSA-N
XLogP2.11
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylsulfonylpiperazin-1-yl)-N-propylbutan-2-amine
CID 62994650
4-methyl-N-propyldodecan-2-amine
CID 64721884
6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine
CID 106732355
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
5-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpentan-2-amine
CID 63608601
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
CID 60923926
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pentan-2-amine
CID 62776170
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-propylbutan-2-amine
CID 115559484
N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
CID 63029842
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]pentan-2-amine
CID 62773872

Frequently Asked Questions

What is the IUPAC name of 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine?
The IUPAC name of 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine (CID 167270621) is 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine?
The canonical SMILES for 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine is CCCNC(C)CC(C)CCN1CC1.
What is the InChIKey of 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine?
The InChIKey is JFJXFEKNYHMDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-13-12(3)10-11(2)5-7-14-8-9-14/h11-13H,4-10H2,1-3H3.
What are the key properties of 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine?
6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 167270621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).