(6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine

C22H39N — CID 166889637

IUPAC(6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine
SMILESC=C(CCC/C=C/CCCC/C=C/C/C=C/CCCCC)NC
InChIInChI=1S/C22H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23-3/h8-9,11-12,17-18,23H,2,4-7,10,13-16,19-21H2,1,3H3/b9-8+,12-11+,18-17+
InChIKeyXLIGAVYWQIMEDQ-BDZZVDEESA-N
MW317.56 g/mol
LogP7.09
Rot. Bonds16

About (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine

(6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine (PubChem CID 166889637) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine.

Molecular Properties

Compound Name(6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine
PubChem CID166889637
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name(6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine
SMILESC=C(CCC/C=C/CCCC/C=C/C/C=C/CCCCC)NC
InChIInChI=1S/C22H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23-3/h8-9,11-12,17-18,23H,2,4-7,10,13-16,19-21H2,1,3H3/b9-8+,12-11+,18-17+
InChIKeyXLIGAVYWQIMEDQ-BDZZVDEESA-N
XLogP7.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 57.09
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-methyloct-1-en-2-amine
CID 129196255
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5E,8E)-tetradeca-5,8-diene
CID 13430684
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710

Frequently Asked Questions

What is the IUPAC name of (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine?
The IUPAC name of (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine (CID 166889637) is (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine.
What is the SMILES notation for (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine?
The canonical SMILES for (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine is C=C(CCC/C=C/CCCC/C=C/C/C=C/CCCCC)NC.
What is the InChIKey of (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine?
The InChIKey is XLIGAVYWQIMEDQ-BDZZVDEESA-N. The full InChI is InChI=1S/C22H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23-3/h8-9,11-12,17-18,23H,2,4-7,10,13-16,19-21H2,1,3H3/b9-8+,12-11+,18-17+.
What are the key properties of (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine?
(6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine has a molecular weight of 317.56 g/mol, XLogP of 7.09, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,12E,15E)-N-methylhenicosa-1,6,12,15-tetraen-2-amine is sourced from PubChem (CID 166889637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).