N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine

C10H20ClN — CID 107900191

IUPACN-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNC/C=C/Cl
InChIInChI=1S/C10H20ClN/c1-10(2)6-3-4-8-12-9-5-7-11/h5,7,10,12H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKeyKHALJUSSAIGHAL-FNORWQNLSA-N
MW189.73 g/mol
LogP3.15
Rot. Bonds7

About N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine

N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine (PubChem CID 107900191) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine
PubChem CID107900191
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNC/C=C/Cl
InChIInChI=1S/C10H20ClN/c1-10(2)6-3-4-8-12-9-5-7-11/h5,7,10,12H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKeyKHALJUSSAIGHAL-FNORWQNLSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

17-methyl-N-prop-2-enyloctadecan-1-amine
CID 153323392
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
3-(4-methylpentoxy)-N-prop-2-enylpropan-1-amine
CID 164556992
(Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine
CID 177068155
2-(6-methylheptylamino)ethanol
CID 23342125
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine (CID 107900191) is N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine is CC(C)CCCCNC/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine?
The InChIKey is KHALJUSSAIGHAL-FNORWQNLSA-N. The full InChI is InChI=1S/C10H20ClN/c1-10(2)6-3-4-8-12-9-5-7-11/h5,7,10,12H,3-4,6,8-9H2,1-2H3/b7-5+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine?
N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine has a molecular weight of 189.73 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-5-methylhexan-1-amine is sourced from PubChem (CID 107900191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).