N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C14H20ClN3 — CID 106599857

IUPACN-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESClc1ccnc(CN(CC2CCCN2)C2CC2)c1
InChIInChI=1S/C14H20ClN3/c15-11-5-7-17-13(8-11)10-18(14-3-4-14)9-12-2-1-6-16-12/h5,7-8,12,14,16H,1-4,6,9-10H2
InChIKeyYSSWGVSAJNNGFN-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.45
Rot. Bonds5

About N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106599857) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106599857
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESClc1ccnc(CN(CC2CCCN2)C2CC2)c1
InChIInChI=1S/C14H20ClN3/c15-11-5-7-17-13(8-11)10-18(14-3-4-14)9-12-2-1-6-16-12/h5,7-8,12,14,16H,1-4,6,9-10H2
InChIKeyYSSWGVSAJNNGFN-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636023
4-chloro-2-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 104973970
N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine
CID 79255888
N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 79255714
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine;hydrochloride
CID 128964519
N-[(5-chloro-2-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631571
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-[(3-methylfuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598988
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973966
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599991

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106599857) is N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is Clc1ccnc(CN(CC2CCCN2)C2CC2)c1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is YSSWGVSAJNNGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-11-5-7-17-13(8-11)10-18(14-3-4-14)9-12-2-1-6-16-12/h5,7-8,12,14,16H,1-4,6,9-10H2.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 265.79 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106599857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).