N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine

C16H29N3 — CID 105072707

IUPACN-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
SMILESCCCCN(CC)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C16H29N3/c1-6-8-11-19(7-2)15-13-17-10-9-14(15)12-18-16(3,4)5/h9-10,13,18H,6-8,11-12H2,1-5H3
InChIKeyYPDSBTYTQDZJRO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.60
Rot. Bonds7

About N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine

N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine (PubChem CID 105072707) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine.

Molecular Properties

Compound NameN-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
PubChem CID105072707
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
SMILESCCCCN(CC)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C16H29N3/c1-6-8-11-19(7-2)15-13-17-10-9-14(15)12-18-16(3,4)5/h9-10,13,18H,6-8,11-12H2,1-5H3
InChIKeyYPDSBTYTQDZJRO-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
CID 105072835
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine
CID 105073982
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
N-butan-2-yl-N-butyl-3-[(tert-butylamino)methyl]pyridin-4-amine
CID 81253404
4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
CID 105072970
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
[3-[ethyl(propyl)amino]-4-pyridinyl]methanol
CID 105066699
N-butyl-3-chloro-N-ethylpyridin-4-amine
CID 133352222
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
N-butyl-4-[(tert-butylamino)methyl]-N-ethyl-2-fluoroaniline
CID 63550946

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine?
The IUPAC name of N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine (CID 105072707) is N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine.
What is the SMILES notation for N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine?
The canonical SMILES for N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine is CCCCN(CC)c1cnccc1CNC(C)(C)C.
What is the InChIKey of N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine?
The InChIKey is YPDSBTYTQDZJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-8-11-19(7-2)15-13-17-10-9-14(15)12-18-16(3,4)5/h9-10,13,18H,6-8,11-12H2,1-5H3.
What are the key properties of N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine?
N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine has a molecular weight of 263.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine is sourced from PubChem (CID 105072707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).