N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine

C11H22ClN — CID 115455602

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
SMILESCCCCCCNCC1(CCl)CC1
InChIInChI=1S/C11H22ClN/c1-2-3-4-5-8-13-10-11(9-12)6-7-11/h13H,2-10H2,1H3
InChIKeyWNLFREAJKMWHIK-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.18
Rot. Bonds8

About N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine

N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine (PubChem CID 115455602) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
PubChem CID115455602
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
SMILESCCCCCCNCC1(CCl)CC1
InChIInChI=1S/C11H22ClN/c1-2-3-4-5-8-13-10-11(9-12)6-7-11/h13H,2-10H2,1H3
InChIKeyWNLFREAJKMWHIK-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.18
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

[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine
CID 144983565
2-[1-[(pentylamino)methyl]cyclopropyl]acetonitrile
CID 65479944
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
CID 106457795
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
CID 104649791
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine (CID 115455602) is N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine is CCCCCCNCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine?
The InChIKey is WNLFREAJKMWHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-2-3-4-5-8-13-10-11(9-12)6-7-11/h13H,2-10H2,1H3.
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine?
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine has a molecular weight of 203.76 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine is sourced from PubChem (CID 115455602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).