N-butyl-N,2,8-trimethylnon-8-en-4-amine

C16H33N — CID 123347711

IUPACN-butyl-N,2,8-trimethylnon-8-en-4-amine
SMILESC=C(C)CCCC(CC(C)C)N(C)CCCC
InChIInChI=1S/C16H33N/c1-7-8-12-17(6)16(13-15(4)5)11-9-10-14(2)3/h15-16H,2,7-13H2,1,3-6H3
InChIKeyLAVMUIHADHPNSR-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.88
Rot. Bonds10

About N-butyl-N,2,8-trimethylnon-8-en-4-amine

N-butyl-N,2,8-trimethylnon-8-en-4-amine (PubChem CID 123347711) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-butyl-N,2,8-trimethylnon-8-en-4-amine.

Molecular Properties

Compound NameN-butyl-N,2,8-trimethylnon-8-en-4-amine
PubChem CID123347711
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-butyl-N,2,8-trimethylnon-8-en-4-amine
SMILESC=C(C)CCCC(CC(C)C)N(C)CCCC
InChIInChI=1S/C16H33N/c1-7-8-12-17(6)16(13-15(4)5)11-9-10-14(2)3/h15-16H,2,7-13H2,1,3-6H3
InChIKeyLAVMUIHADHPNSR-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,8-trimethylnon-8-en-4-amine?
The IUPAC name of N-butyl-N,2,8-trimethylnon-8-en-4-amine (CID 123347711) is N-butyl-N,2,8-trimethylnon-8-en-4-amine.
What is the SMILES notation for N-butyl-N,2,8-trimethylnon-8-en-4-amine?
The canonical SMILES for N-butyl-N,2,8-trimethylnon-8-en-4-amine is C=C(C)CCCC(CC(C)C)N(C)CCCC.
What is the InChIKey of N-butyl-N,2,8-trimethylnon-8-en-4-amine?
The InChIKey is LAVMUIHADHPNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-8-12-17(6)16(13-15(4)5)11-9-10-14(2)3/h15-16H,2,7-13H2,1,3-6H3.
What are the key properties of N-butyl-N,2,8-trimethylnon-8-en-4-amine?
N-butyl-N,2,8-trimethylnon-8-en-4-amine has a molecular weight of 239.45 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,8-trimethylnon-8-en-4-amine is sourced from PubChem (CID 123347711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).