N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine

C18H33N3 — CID 105072835

IUPACN,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
SMILESCCCCN(CCCC)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-6-8-12-21(13-9-7-2)17-15-19-11-10-16(17)14-20-18(3,4)5/h10-11,15,20H,6-9,12-14H2,1-5H3
InChIKeyQGNNJZHLKGNNEV-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.38
Rot. Bonds9

About N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine

N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine (PubChem CID 105072835) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
PubChem CID105072835
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
SMILESCCCCN(CCCC)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-6-8-12-21(13-9-7-2)17-15-19-11-10-16(17)14-20-18(3,4)5/h10-11,15,20H,6-9,12-14H2,1-5H3
InChIKeyQGNNJZHLKGNNEV-UHFFFAOYSA-N
XLogP4.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
CID 105072707
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837
N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 105073949
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine
CID 105073982
N-butan-2-yl-N-butyl-3-[(tert-butylamino)methyl]pyridin-4-amine
CID 81253404
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
4-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 105072928
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
CID 105072970
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249392
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine?
The IUPAC name of N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine (CID 105072835) is N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine?
The canonical SMILES for N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine is CCCCN(CCCC)c1cnccc1CNC(C)(C)C.
What is the InChIKey of N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine?
The InChIKey is QGNNJZHLKGNNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-8-12-21(13-9-7-2)17-15-19-11-10-16(17)14-20-18(3,4)5/h10-11,15,20H,6-9,12-14H2,1-5H3.
What are the key properties of N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine?
N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine has a molecular weight of 291.48 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105072835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).