N-ethyl-7-(ethylideneamino)hept-5-en-1-amine

C11H22N2 — CID 175543128

IUPACN-ethyl-7-(ethylideneamino)hept-5-en-1-amine
SMILESC/C=N/CC=CCCCCNCC
InChIInChI=1S/C11H22N2/c1-3-12-10-8-6-5-7-9-11-13-4-2/h3,6,8,13H,4-5,7,9-11H2,1-2H3/b8-6?,12-3+
InChIKeyRVUBWIAOPXYCOR-RPFDLFMPSA-N
MW182.31 g/mol
LogP2.41
Rot. Bonds8

About N-ethyl-7-(ethylideneamino)hept-5-en-1-amine

N-ethyl-7-(ethylideneamino)hept-5-en-1-amine (PubChem CID 175543128) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-ethyl-7-(ethylideneamino)hept-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-7-(ethylideneamino)hept-5-en-1-amine
PubChem CID175543128
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-ethyl-7-(ethylideneamino)hept-5-en-1-amine
SMILESC/C=N/CC=CCCCCNCC
InChIInChI=1S/C11H22N2/c1-3-12-10-8-6-5-7-9-11-13-4-2/h3,6,8,13H,4-5,7,9-11H2,1-2H3/b8-6?,12-3+
InChIKeyRVUBWIAOPXYCOR-RPFDLFMPSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-ethylundec-9-en-1-amine
CID 144898184
6-chlorosilyl-N-ethylhex-5-en-1-amine
CID 154510192
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
N-ethyl-N'-hex-3-enylpentane-1,5-diamine
CID 123144490
N,N'-diethylpentane-1,5-diamine
CID 15013244
(E)-N'-ethyl-N-[(E)-2-methylbut-2-enyl]hept-1-ene-1,7-diamine
CID 143441268
N-ethyl-N'-[4-[4-[4-[[(E)-4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butylamino]butyl]butane-1,4-diamine
CID 6476700
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-ethyl-N'-[4-[[(Z)-4-[4-(ethylamino)butylamino]but-2-enyl]amino]butyl]butane-1,4-diamine;pentahydrochloride
CID 52944190
[[(Z)-octadec-9-enyl]amino]methanol
CID 143220768

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-(ethylideneamino)hept-5-en-1-amine?
The IUPAC name of N-ethyl-7-(ethylideneamino)hept-5-en-1-amine (CID 175543128) is N-ethyl-7-(ethylideneamino)hept-5-en-1-amine.
What is the SMILES notation for N-ethyl-7-(ethylideneamino)hept-5-en-1-amine?
The canonical SMILES for N-ethyl-7-(ethylideneamino)hept-5-en-1-amine is C/C=N/CC=CCCCCNCC.
What is the InChIKey of N-ethyl-7-(ethylideneamino)hept-5-en-1-amine?
The InChIKey is RVUBWIAOPXYCOR-RPFDLFMPSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-12-10-8-6-5-7-9-11-13-4-2/h3,6,8,13H,4-5,7,9-11H2,1-2H3/b8-6?,12-3+.
What are the key properties of N-ethyl-7-(ethylideneamino)hept-5-en-1-amine?
N-ethyl-7-(ethylideneamino)hept-5-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-(ethylideneamino)hept-5-en-1-amine is sourced from PubChem (CID 175543128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).