N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C14H22ClN3 — CID 106620455

IUPACN-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1ncccc1Cl
InChIInChI=1S/C14H22ClN3/c1-2-3-10-18(11-12-6-4-8-16-12)14-13(15)7-5-9-17-14/h5,7,9,12,16H,2-4,6,8,10-11H2,1H3
InChIKeyUXXBFTAJFVGJJK-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.09
Rot. Bonds6

About N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620455) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620455
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1ncccc1Cl
InChIInChI=1S/C14H22ClN3/c1-2-3-10-18(11-12-6-4-8-16-12)14-13(15)7-5-9-17-14/h5,7,9,12,16H,2-4,6,8,10-11H2,1H3
InChIKeyUXXBFTAJFVGJJK-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620278
3-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618690
N,N-dibutyl-3-chloropyridin-2-amine
CID 135025261
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620261
N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 106619613
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642480
N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620441
N-[(2-methoxy-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616975
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
N-butyl-N-(pyrrolidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106620444

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620455) is N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is CCCCN(CC1CCCN1)c1ncccc1Cl.
What is the InChIKey of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is UXXBFTAJFVGJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-2-3-10-18(11-12-6-4-8-16-12)14-13(15)7-5-9-17-14/h5,7,9,12,16H,2-4,6,8,10-11H2,1H3.
What are the key properties of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).