N-ethyl-4-methylocta-3,7-dien-1-amine

C11H21N — CID 79599857

IUPACN-ethyl-4-methylocta-3,7-dien-1-amine
SMILESC=CCCC(C)=CCCNCC
InChIInChI=1S/C11H21N/c1-4-6-8-11(3)9-7-10-12-5-2/h4,9,12H,1,5-8,10H2,2-3H3
InChIKeyIAWSHAQGZWBDNC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.90
Rot. Bonds7

About N-ethyl-4-methylocta-3,7-dien-1-amine

N-ethyl-4-methylocta-3,7-dien-1-amine (PubChem CID 79599857) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-ethyl-4-methylocta-3,7-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylocta-3,7-dien-1-amine
PubChem CID79599857
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-ethyl-4-methylocta-3,7-dien-1-amine
SMILESC=CCCC(C)=CCCNCC
InChIInChI=1S/C11H21N/c1-4-6-8-11(3)9-7-10-12-5-2/h4,9,12H,1,5-8,10H2,2-3H3
InChIKeyIAWSHAQGZWBDNC-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.90
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

N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
CID 91413458
ethane;(5Z)-5-methylocta-1,5-diene
CID 155705867
N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine
CID 79598076
(9Z)-9-ethyl-5-methylundeca-1,5,9-triene
CID 59685224
5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine
CID 79598587
(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
CID 138968984
5-methylhepta-1,5-diene
CID 54049787
(6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine
CID 87373466
4-methyl-N-propylnon-3-en-1-amine
CID 79597954
N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine
CID 79598190
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
(6Z)-3,7-dimethylundeca-6,10-dienal
CID 175255788

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylocta-3,7-dien-1-amine?
The IUPAC name of N-ethyl-4-methylocta-3,7-dien-1-amine (CID 79599857) is N-ethyl-4-methylocta-3,7-dien-1-amine.
What is the SMILES notation for N-ethyl-4-methylocta-3,7-dien-1-amine?
The canonical SMILES for N-ethyl-4-methylocta-3,7-dien-1-amine is C=CCCC(C)=CCCNCC.
What is the InChIKey of N-ethyl-4-methylocta-3,7-dien-1-amine?
The InChIKey is IAWSHAQGZWBDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-8-11(3)9-7-10-12-5-2/h4,9,12H,1,5-8,10H2,2-3H3.
What are the key properties of N-ethyl-4-methylocta-3,7-dien-1-amine?
N-ethyl-4-methylocta-3,7-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylocta-3,7-dien-1-amine is sourced from PubChem (CID 79599857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).