(Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one

C23H46N2O — CID 174367740

IUPAC(Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)CN(C)CCCN
InChIInChI=1S/C23H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(26)22-25(2)21-18-20-24/h10-11H,3-9,12-22,24H2,1-2H3/b11-10-
InChIKeyVZMXDVMSZZULRQ-KHPPLWFESA-N
MW366.63 g/mol
LogP5.87
Rot. Bonds20

About (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one

(Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one (PubChem CID 174367740) has the molecular formula C23H46N2O and a molecular weight of 366.63 g/mol. Its IUPAC name is (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one.

Molecular Properties

Compound Name(Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one
PubChem CID174367740
Molecular FormulaC23H46N2O
Molecular Weight366.63 g/mol
Exact Mass366.36
IUPAC Name(Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)CN(C)CCCN
InChIInChI=1S/C23H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(26)22-25(2)21-18-20-24/h10-11H,3-9,12-22,24H2,1-2H3/b11-10-
InChIKeyVZMXDVMSZZULRQ-KHPPLWFESA-N
XLogP5.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis((9Z,12Z)-octadeca-9,12-dienoic acid)
CID 6455812
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;octadecan-1-amine
CID 174638306
(E)-triacont-15-ene-8,23-dione
CID 11849500
CID 175691968
CID 175691968
N-methyl-N-octadec-9-enyloctadec-9-en-1-amine;octadecanoic acid
CID 173229029
CID 87747954
CID 87747954
(Z)-octadec-9-enoic acid;tetradecan-1-amine
CID 173122543
bis(octadec-9-enoic acid);propane-1,3-diamine
CID 173374697
dodecan-1-amine;octadec-9-enoic acid
CID 71446756
hexadecanoic acid;octadec-9-en-1-amine
CID 74935183
sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid
CID 173150786
(E)-nonadec-12-en-9-one
CID 15584258

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one?
The IUPAC name of (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one (CID 174367740) is (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one.
What is the SMILES notation for (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one?
The canonical SMILES for (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one is CCCCCCCC/C=C\CCCCCCCC(=O)CN(C)CCCN.
What is the InChIKey of (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one?
The InChIKey is VZMXDVMSZZULRQ-KHPPLWFESA-N. The full InChI is InChI=1S/C23H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(26)22-25(2)21-18-20-24/h10-11H,3-9,12-22,24H2,1-2H3/b11-10-.
What are the key properties of (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one?
(Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one has a molecular weight of 366.63 g/mol, XLogP of 5.87, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one is sourced from PubChem (CID 174367740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).