N,N-dimethyl-2-pentylnon-2-en-1-amine

C16H33N — CID 86145997

IUPACN,N-dimethyl-2-pentylnon-2-en-1-amine
SMILESCCCCCCC=C(CCCCC)CN(C)C
InChIInChI=1S/C16H33N/c1-5-7-9-10-12-14-16(15-17(3)4)13-11-8-6-2/h14H,5-13,15H2,1-4H3
InChIKeyRLADRVPSFCQINI-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.03
Rot. Bonds11

About N,N-dimethyl-2-pentylnon-2-en-1-amine

N,N-dimethyl-2-pentylnon-2-en-1-amine (PubChem CID 86145997) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N,N-dimethyl-2-pentylnon-2-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-pentylnon-2-en-1-amine
PubChem CID86145997
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN,N-dimethyl-2-pentylnon-2-en-1-amine
SMILESCCCCCCC=C(CCCCC)CN(C)C
InChIInChI=1S/C16H33N/c1-5-7-9-10-12-14-16(15-17(3)4)13-11-8-6-2/h14H,5-13,15H2,1-4H3
InChIKeyRLADRVPSFCQINI-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pentylnon-2-en-1-amine?
The IUPAC name of N,N-dimethyl-2-pentylnon-2-en-1-amine (CID 86145997) is N,N-dimethyl-2-pentylnon-2-en-1-amine.
What is the SMILES notation for N,N-dimethyl-2-pentylnon-2-en-1-amine?
The canonical SMILES for N,N-dimethyl-2-pentylnon-2-en-1-amine is CCCCCCC=C(CCCCC)CN(C)C.
What is the InChIKey of N,N-dimethyl-2-pentylnon-2-en-1-amine?
The InChIKey is RLADRVPSFCQINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-9-10-12-14-16(15-17(3)4)13-11-8-6-2/h14H,5-13,15H2,1-4H3.
What are the key properties of N,N-dimethyl-2-pentylnon-2-en-1-amine?
N,N-dimethyl-2-pentylnon-2-en-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pentylnon-2-en-1-amine is sourced from PubChem (CID 86145997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).