N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine

C14H28ClN — CID 21159426

IUPACN-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)C/C(C)=C/Cl
InChIInChI=1S/C14H28ClN/c1-4-6-8-10-16(11-9-7-5-2)13-14(3)12-15/h12H,4-11,13H2,1-3H3/b14-12+
InChIKeyLBFSKUKLJZLKTD-WYMLVPIESA-N
MW245.84 g/mol
LogP4.81
Rot. Bonds10

About N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine

N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine (PubChem CID 21159426) has the molecular formula C14H28ClN and a molecular weight of 245.84 g/mol. Its IUPAC name is N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine
PubChem CID21159426
Molecular FormulaC14H28ClN
Molecular Weight245.84 g/mol
Exact Mass245.19
IUPAC NameN-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)C/C(C)=C/Cl
InChIInChI=1S/C14H28ClN/c1-4-6-8-10-16(11-9-7-5-2)13-14(3)12-15/h12H,4-11,13H2,1-3H3/b14-12+
InChIKeyLBFSKUKLJZLKTD-WYMLVPIESA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.84
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride
CID 155652944
lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine
CID 140648805
[hexyl(hydroxymethyl)amino]methanol
CID 18004283
[dodecyl(hydroxymethyl)amino]methanol
CID 19019052
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
N,N-dipentyltridecan-1-amine
CID 139723521
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylpentan-1-amine;hydrate
CID 156801056
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N-dipentylpentadecan-1-amine
CID 139722952

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine?
The IUPAC name of N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine (CID 21159426) is N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine.
What is the SMILES notation for N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine?
The canonical SMILES for N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine is CCCCCN(CCCCC)C/C(C)=C/Cl.
What is the InChIKey of N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine?
The InChIKey is LBFSKUKLJZLKTD-WYMLVPIESA-N. The full InChI is InChI=1S/C14H28ClN/c1-4-6-8-10-16(11-9-7-5-2)13-14(3)12-15/h12H,4-11,13H2,1-3H3/b14-12+.
What are the key properties of N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine?
N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine has a molecular weight of 245.84 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine is sourced from PubChem (CID 21159426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).