N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride

C19H38ClN — CID 175149867

IUPACN-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride
SMILESC=CCC(CC=C)NCCCCCCCCCCCC.Cl
InChIInChI=1S/C19H37N.ClH/c1-4-7-8-9-10-11-12-13-14-15-18-20-19(16-5-2)17-6-3;/h5-6,19-20H,2-4,7-18H2,1H3;1H
InChIKeyRZJWKQCUMKUMBN-UHFFFAOYSA-N
MW315.97 g/mol
LogP6.44
Rot. Bonds16

About N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride

N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride (PubChem CID 175149867) has the molecular formula C19H38ClN and a molecular weight of 315.97 g/mol. Its IUPAC name is N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride
PubChem CID175149867
Molecular FormulaC19H38ClN
Molecular Weight315.97 g/mol
Exact Mass315.27
IUPAC NameN-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride
SMILESC=CCC(CC=C)NCCCCCCCCCCCC.Cl
InChIInChI=1S/C19H37N.ClH/c1-4-7-8-9-10-11-12-13-14-15-18-20-19(16-5-2)17-6-3;/h5-6,19-20H,2-4,7-18H2,1H3;1H
InChIKeyRZJWKQCUMKUMBN-UHFFFAOYSA-N
XLogP6.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.97
LogP ≤ 56.44
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-propylhepta-1,6-dien-4-amine
CID 88756960
N-pent-4-en-2-ylpentan-1-amine;hydrochloride
CID 155386341
tridec-1-en-4-ylhydrazine
CID 105269672
1-(hexadecylamino)prop-2-en-1-ol
CID 143379155
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
methyl 2-(pentylamino)pent-4-enoate
CID 135182519
N-tridecylpentadecan-3-amine
CID 88820168
N-hexan-3-ylhexan-1-amine
CID 62117591
N-propylundec-1-en-5-amine
CID 104987530
N-prop-2-enyltridecan-1-amine
CID 22467882
4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine
CID 14837601

Frequently Asked Questions

What is the IUPAC name of N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride?
The IUPAC name of N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride (CID 175149867) is N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride.
What is the SMILES notation for N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride?
The canonical SMILES for N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride is C=CCC(CC=C)NCCCCCCCCCCCC.Cl.
What is the InChIKey of N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride?
The InChIKey is RZJWKQCUMKUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N.ClH/c1-4-7-8-9-10-11-12-13-14-15-18-20-19(16-5-2)17-6-3;/h5-6,19-20H,2-4,7-18H2,1H3;1H.
What are the key properties of N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride?
N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride has a molecular weight of 315.97 g/mol, XLogP of 6.44, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride is sourced from PubChem (CID 175149867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).