N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine

C11H20ClN — CID 64522017

IUPACN-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine
SMILESCC(CCl)CN(CC1CC1)C1CC1
InChIInChI=1S/C11H20ClN/c1-9(6-12)7-13(11-4-5-11)8-10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyNVSXYFKXBQOCKR-UHFFFAOYSA-N
MW201.74 g/mol
LogP2.74
Rot. Bonds6

About N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine

N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine (PubChem CID 64522017) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine
PubChem CID64522017
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC NameN-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine
SMILESCC(CCl)CN(CC1CC1)C1CC1
InChIInChI=1S/C11H20ClN/c1-9(6-12)7-13(11-4-5-11)8-10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyNVSXYFKXBQOCKR-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(cyclopropylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 64520179
1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine
CID 65296045
3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide
CID 64521353
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclohexan-1-amine
CID 64522365
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106604377
N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 81090110
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
CID 64521866
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604544
2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 64519877
1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66334409
1-[cyclopropyl(cyclopropylmethyl)amino]propan-2-one
CID 64522765
1-chloro-3-[cyclopropylmethyl(propan-2-yl)amino]propan-2-ol
CID 112561477

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine?
The IUPAC name of N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine (CID 64522017) is N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine is CC(CCl)CN(CC1CC1)C1CC1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine?
The InChIKey is NVSXYFKXBQOCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c1-9(6-12)7-13(11-4-5-11)8-10-2-3-10/h9-11H,2-8H2,1H3.
What are the key properties of N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine?
N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine has a molecular weight of 201.74 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine is sourced from PubChem (CID 64522017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).