N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C17H29N3O — CID 106620278

IUPACN-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1ncccc1OC(C)C
InChIInChI=1S/C17H29N3O/c1-4-5-12-20(13-15-8-6-10-18-15)17-16(21-14(2)3)9-7-11-19-17/h7,9,11,14-15,18H,4-6,8,10,12-13H2,1-3H3
InChIKeyJJDHHABBIVOLAM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.23
Rot. Bonds8

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

N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620278) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620278
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1ncccc1OC(C)C
InChIInChI=1S/C17H29N3O/c1-4-5-12-20(13-15-8-6-10-18-15)17-16(21-14(2)3)9-7-11-19-17/h7,9,11,14-15,18H,4-6,8,10,12-13H2,1-3H3
InChIKeyJJDHHABBIVOLAM-UHFFFAOYSA-N
XLogP3.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620786
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-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-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642480
N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine
CID 102871649
N-butyl-4,6-dimethoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620394

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620278) is N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is CCCCN(CC1CCCN1)c1ncccc1OC(C)C.
What is the InChIKey of N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is JJDHHABBIVOLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-5-12-20(13-15-8-6-10-18-15)17-16(21-14(2)3)9-7-11-19-17/h7,9,11,14-15,18H,4-6,8,10,12-13H2,1-3H3.
What are the key properties of N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).