N-(2-methylpropyl)nona-2,6,8-trien-1-amine

C13H23N — CID 150789104

IUPACN-(2-methylpropyl)nona-2,6,8-trien-1-amine
SMILESC=CC=CCCC=CCNCC(C)C
InChIInChI=1S/C13H23N/c1-4-5-6-7-8-9-10-11-14-12-13(2)3/h4-6,9-10,13-14H,1,7-8,11-12H2,2-3H3
InChIKeyKDLTZFSGQCURGD-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.31
Rot. Bonds8

About N-(2-methylpropyl)nona-2,6,8-trien-1-amine

N-(2-methylpropyl)nona-2,6,8-trien-1-amine (PubChem CID 150789104) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(2-methylpropyl)nona-2,6,8-trien-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)nona-2,6,8-trien-1-amine
PubChem CID150789104
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(2-methylpropyl)nona-2,6,8-trien-1-amine
SMILESC=CC=CCCC=CCNCC(C)C
InChIInChI=1S/C13H23N/c1-4-5-6-7-8-9-10-11-14-12-13(2)3/h4-6,9-10,13-14H,1,7-8,11-12H2,2-3H3
InChIKeyKDLTZFSGQCURGD-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.31
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)nona-2,6,8-trien-1-amine?
The IUPAC name of N-(2-methylpropyl)nona-2,6,8-trien-1-amine (CID 150789104) is N-(2-methylpropyl)nona-2,6,8-trien-1-amine.
What is the SMILES notation for N-(2-methylpropyl)nona-2,6,8-trien-1-amine?
The canonical SMILES for N-(2-methylpropyl)nona-2,6,8-trien-1-amine is C=CC=CCCC=CCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)nona-2,6,8-trien-1-amine?
The InChIKey is KDLTZFSGQCURGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-5-6-7-8-9-10-11-14-12-13(2)3/h4-6,9-10,13-14H,1,7-8,11-12H2,2-3H3.
What are the key properties of N-(2-methylpropyl)nona-2,6,8-trien-1-amine?
N-(2-methylpropyl)nona-2,6,8-trien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)nona-2,6,8-trien-1-amine is sourced from PubChem (CID 150789104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).