(3E)-7-methyl-N-propylocta-3,7-dien-1-amine

C12H23N — CID 114477529

IUPAC(3E)-7-methyl-N-propylocta-3,7-dien-1-amine
SMILESC=C(C)CC/C=C/CCNCCC
InChIInChI=1S/C12H23N/c1-4-10-13-11-8-6-5-7-9-12(2)3/h5-6,13H,2,4,7-11H2,1,3H3/b6-5+
InChIKeyWUDORLWXVHVXSJ-AATRIKPKSA-N
MW181.32 g/mol
LogP3.29
Rot. Bonds8

About (3E)-7-methyl-N-propylocta-3,7-dien-1-amine

(3E)-7-methyl-N-propylocta-3,7-dien-1-amine (PubChem CID 114477529) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3E)-7-methyl-N-propylocta-3,7-dien-1-amine.

Molecular Properties

Compound Name(3E)-7-methyl-N-propylocta-3,7-dien-1-amine
PubChem CID114477529
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3E)-7-methyl-N-propylocta-3,7-dien-1-amine
SMILESC=C(C)CC/C=C/CCNCCC
InChIInChI=1S/C12H23N/c1-4-10-13-11-8-6-5-7-9-12(2)3/h5-6,13H,2,4,7-11H2,1,3H3/b6-5+
InChIKeyWUDORLWXVHVXSJ-AATRIKPKSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-N-propylnon-8-en-1-amine
CID 138599525
6-methylhepta-2,6-dienal
CID 54465037
(2E)-6-methylhepta-2,6-dien-1-ol
CID 11105375
(2Z)-6-methylhepta-2,6-dien-1-ol
CID 11217260
(3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine
CID 167244985
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
2-methyldeca-1,5,9-triene
CID 163214311
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
2-methylundeca-1,6-diene
CID 173154459
4-methyl-N-propylnon-3-en-1-amine
CID 79597954
7-ethylsulfonyl-N-propylhept-3-en-1-amine
CID 79591067
N-(3-methylbut-3-enyl)hexan-1-amine
CID 114472319

Frequently Asked Questions

What is the IUPAC name of (3E)-7-methyl-N-propylocta-3,7-dien-1-amine?
The IUPAC name of (3E)-7-methyl-N-propylocta-3,7-dien-1-amine (CID 114477529) is (3E)-7-methyl-N-propylocta-3,7-dien-1-amine.
What is the SMILES notation for (3E)-7-methyl-N-propylocta-3,7-dien-1-amine?
The canonical SMILES for (3E)-7-methyl-N-propylocta-3,7-dien-1-amine is C=C(C)CC/C=C/CCNCCC.
What is the InChIKey of (3E)-7-methyl-N-propylocta-3,7-dien-1-amine?
The InChIKey is WUDORLWXVHVXSJ-AATRIKPKSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10-13-11-8-6-5-7-9-12(2)3/h5-6,13H,2,4,7-11H2,1,3H3/b6-5+.
What are the key properties of (3E)-7-methyl-N-propylocta-3,7-dien-1-amine?
(3E)-7-methyl-N-propylocta-3,7-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-methyl-N-propylocta-3,7-dien-1-amine is sourced from PubChem (CID 114477529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).