(3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine

C16H31N — CID 129226663

IUPAC(3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine
SMILESC=C(C)CCNC(=C)[C@H](CC)C(C)(C)CCC
InChIInChI=1S/C16H31N/c1-8-11-16(6,7)15(9-2)14(5)17-12-10-13(3)4/h15,17H,3,5,8-12H2,1-2,4,6-7H3/t15-/m0/s1
InChIKeyZNQGZBFTYMTXPW-HNNXBMFYSA-N
MW237.43 g/mol
LogP4.91
Rot. Bonds9

About (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine

(3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine (PubChem CID 129226663) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine.

Molecular Properties

Compound Name(3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine
PubChem CID129226663
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine
SMILESC=C(C)CCNC(=C)[C@H](CC)C(C)(C)CCC
InChIInChI=1S/C16H31N/c1-8-11-16(6,7)15(9-2)14(5)17-12-10-13(3)4/h15,17H,3,5,8-12H2,1-2,4,6-7H3/t15-/m0/s1
InChIKeyZNQGZBFTYMTXPW-HNNXBMFYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine?
The IUPAC name of (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine (CID 129226663) is (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine.
What is the SMILES notation for (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine?
The canonical SMILES for (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine is C=C(C)CCNC(=C)[C@H](CC)C(C)(C)CCC.
What is the InChIKey of (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine?
The InChIKey is ZNQGZBFTYMTXPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H31N/c1-8-11-16(6,7)15(9-2)14(5)17-12-10-13(3)4/h15,17H,3,5,8-12H2,1-2,4,6-7H3/t15-/m0/s1.
What are the key properties of (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine?
(3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine is sourced from PubChem (CID 129226663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).