N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine

C14H22ClNO — CID 55053333

IUPACN-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
SMILESClCCCCCCN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H22ClNO/c15-9-3-1-2-4-10-16(13-7-8-13)12-14-6-5-11-17-14/h5-6,11,13H,1-4,7-10,12H2
InChIKeyHWYGUGLQEIXUDE-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.04
Rot. Bonds9

About N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine

N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine (PubChem CID 55053333) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
PubChem CID55053333
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
SMILESClCCCCCCN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H22ClNO/c15-9-3-1-2-4-10-16(13-7-8-13)12-14-6-5-11-17-14/h5-6,11,13H,1-4,7-10,12H2
InChIKeyHWYGUGLQEIXUDE-UHFFFAOYSA-N
XLogP4.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one
CID 62644896
N-(furan-2-ylmethyl)-N-(2-pyrrolidin-2-ylethyl)cyclopropanamine
CID 55003918
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558803

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine (CID 55053333) is N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine is ClCCCCCCN(Cc1ccco1)C1CC1.
What is the InChIKey of N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine?
The InChIKey is HWYGUGLQEIXUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c15-9-3-1-2-4-10-16(13-7-8-13)12-14-6-5-11-17-14/h5-6,11,13H,1-4,7-10,12H2.
What are the key properties of N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine?
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine has a molecular weight of 255.79 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 55053333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).