(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine

C12H21N — CID 137390509

IUPAC(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine
SMILESC=C/C(CC)=C(N)/C(=C\C)C(C)C
InChIInChI=1S/C12H21N/c1-6-10(7-2)12(13)11(8-3)9(4)5/h6,8-9H,1,7,13H2,2-5H3/b11-8-,12-10+
InChIKeyIOGYDZVUGKVSMN-XNGMQHMOSA-N
MW179.31 g/mol
LogP3.40
Rot. Bonds4

About (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine

(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine (PubChem CID 137390509) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine
PubChem CID137390509
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine
SMILESC=C/C(CC)=C(N)/C(=C\C)C(C)C
InChIInChI=1S/C12H21N/c1-6-10(7-2)12(13)11(8-3)9(4)5/h6,8-9H,1,7,13H2,2-5H3/b11-8-,12-10+
InChIKeyIOGYDZVUGKVSMN-XNGMQHMOSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine (CID 137390509) is (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine is C=C/C(CC)=C(N)/C(=C\C)C(C)C.
What is the InChIKey of (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine?
The InChIKey is IOGYDZVUGKVSMN-XNGMQHMOSA-N. The full InChI is InChI=1S/C12H21N/c1-6-10(7-2)12(13)11(8-3)9(4)5/h6,8-9H,1,7,13H2,2-5H3/b11-8-,12-10+.
What are the key properties of (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine?
(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine has a molecular weight of 179.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 137390509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).