N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine

C18H37NO — CID 134388069

IUPACN-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine
SMILESC/C=C\CCCCCCCCOCCC(C)CNCC
InChIInChI=1S/C18H37NO/c1-4-6-7-8-9-10-11-12-13-15-20-16-14-18(3)17-19-5-2/h4,6,18-19H,5,7-17H2,1-3H3/b6-4-
InChIKeySIIGKMASWBYZQQ-XQRVVYSFSA-N
MW283.50 g/mol
LogP4.95
Rot. Bonds15

About N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine

N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine (PubChem CID 134388069) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine
PubChem CID134388069
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine
SMILESC/C=C\CCCCCCCCOCCC(C)CNCC
InChIInChI=1S/C18H37NO/c1-4-6-7-8-9-10-11-12-13-15-20-16-14-18(3)17-19-5-2/h4,6,18-19H,5,7-17H2,1-3H3/b6-4-
InChIKeySIIGKMASWBYZQQ-XQRVVYSFSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine
CID 6450523
trans-3,4-bis(((Z)-Hexadec-9-enyloxy)methyl)pyrrolidine
CID 53497382
N-[3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]butan-1-amine
CID 58391201
(3R,4R)-3,4-bis[[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]pyrrolidine
CID 71292894
(3S,4S)-3,4-bis(octadeca-9,12-dienoxymethyl)pyrrolidine
CID 71292895
(3R,4R)-3,4-bis[[(11Z,14Z)-icosa-11,14-dienoxy]methyl]pyrrolidine
CID 71292987
(3S,4S)-3,4-bis(icosa-11,14-dienoxymethyl)pyrrolidine
CID 71292989
(3R,4R)-3,4-bis[[(Z)-hexadec-9-enoxy]methyl]pyrrolidine
CID 71293021
3,4-Bis(hexadec-9-enoxymethyl)pyrrolidine
CID 71293022
(3S,4S)-3,4-bis(hexadec-9-enoxymethyl)pyrrolidine
CID 71293023
(3R,4R)-3,4-bis[[(Z)-octadec-9-enoxy]methyl]pyrrolidine
CID 71293133
3,4-Bis(octadec-9-enoxymethyl)pyrrolidine
CID 71293136

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine (CID 134388069) is N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine is C/C=C\CCCCCCCCOCCC(C)CNCC.
What is the InChIKey of N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine?
The InChIKey is SIIGKMASWBYZQQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-6-7-8-9-10-11-12-13-15-20-16-14-18(3)17-19-5-2/h4,6,18-19H,5,7-17H2,1-3H3/b6-4-.
What are the key properties of N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine?
N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.95, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-4-[(Z)-undec-9-enoxy]butan-1-amine is sourced from PubChem (CID 134388069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).