(4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine

C13H24N2 — CID 126716270

IUPAC(4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine
SMILESC=C(C)[C@H](CCC)CC(C)(N)CC1C=N1
InChIInChI=1S/C13H24N2/c1-5-6-11(10(2)3)7-13(4,14)8-12-9-15-12/h9,11-12H,2,5-8,14H2,1,3-4H3/t11-,12?,13?/m1/s1
InChIKeySNBSXILOJCAOQE-PNESKVBLSA-N
MW208.35 g/mol
LogP2.93
Rot. Bonds7

About (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine

(4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine (PubChem CID 126716270) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine.

Molecular Properties

Compound Name(4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine
PubChem CID126716270
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine
SMILESC=C(C)[C@H](CCC)CC(C)(N)CC1C=N1
InChIInChI=1S/C13H24N2/c1-5-6-11(10(2)3)7-13(4,14)8-12-9-15-12/h9,11-12H,2,5-8,14H2,1,3-4H3/t11-,12?,13?/m1/s1
InChIKeySNBSXILOJCAOQE-PNESKVBLSA-N
XLogP2.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine?
The IUPAC name of (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine (CID 126716270) is (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine.
What is the SMILES notation for (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine?
The canonical SMILES for (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine is C=C(C)[C@H](CCC)CC(C)(N)CC1C=N1.
What is the InChIKey of (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine?
The InChIKey is SNBSXILOJCAOQE-PNESKVBLSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-6-11(10(2)3)7-13(4,14)8-12-9-15-12/h9,11-12H,2,5-8,14H2,1,3-4H3/t11-,12?,13?/m1/s1.
What are the key properties of (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine?
(4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine has a molecular weight of 208.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2H-azirin-2-yl)-2-methyl-4-prop-1-en-2-ylheptan-2-amine is sourced from PubChem (CID 126716270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).