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

C16H27N3 — CID 105073982

IUPAC4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine
SMILESCCN(CC1CC1)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C16H27N3/c1-5-19(12-13-6-7-13)15-11-17-9-8-14(15)10-18-16(2,3)4/h8-9,11,13,18H,5-7,10,12H2,1-4H3
InChIKeyMQBGGTDVPVUFBG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds6

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

4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine (PubChem CID 105073982) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine
PubChem CID105073982
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine
SMILESCCN(CC1CC1)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C16H27N3/c1-5-19(12-13-6-7-13)15-11-17-9-8-14(15)10-18-16(2,3)4/h8-9,11,13,18H,5-7,10,12H2,1-4H3
InChIKeyMQBGGTDVPVUFBG-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073981
N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
CID 105072707
4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
CID 105072970
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
CID 105072835
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylpyridin-4-amine
CID 81247312
3-[cyclopropylmethyl(ethyl)amino]pyridine-4-carbothioamide
CID 114288566
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
4-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 105072928
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107401854
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 114849135

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine (CID 105073982) is 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine is CCN(CC1CC1)c1cnccc1CNC(C)(C)C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine?
The InChIKey is MQBGGTDVPVUFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-19(12-13-6-7-13)15-11-17-9-8-14(15)10-18-16(2,3)4/h8-9,11,13,18H,5-7,10,12H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine?
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine is sourced from PubChem (CID 105073982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).