N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine

C9H18ClN — CID 114757564

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(CCCl)CC1
InChIInChI=1S/C9H18ClN/c1-2-7-11-8-9(3-4-9)5-6-10/h11H,2-8H2,1H3
InChIKeyCBRFECDHFYYIML-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.40
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 114757564) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
PubChem CID114757564
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(CCCl)CC1
InChIInChI=1S/C9H18ClN/c1-2-7-11-8-9(3-4-9)5-6-10/h11H,2-8H2,1H3
InChIKeyCBRFECDHFYYIML-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methylpentan-1-amine
CID 114757500
N-[[1-(trimethylsilylmethyl)cyclopropyl]methyl]propan-1-amine
CID 106323691
N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 66024011
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 106730080
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine
CID 114757664
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
CID 106457795

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine (CID 114757564) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1(CCCl)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is CBRFECDHFYYIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-2-7-11-8-9(3-4-9)5-6-10/h11H,2-8H2,1H3.
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 175.70 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 114757564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).