N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H27N3 — CID 107401875

IUPACN-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(CC1CCC1)c1cc(CNC(C)C)ccn1
InChIInChI=1S/C16H27N3/c1-4-19(12-14-6-5-7-14)16-10-15(8-9-17-16)11-18-13(2)3/h8-10,13-14,18H,4-7,11-12H2,1-3H3
InChIKeySPQPRQWSGVIJQB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds7

About N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine

N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 107401875) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID107401875
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(CC1CCC1)c1cc(CNC(C)C)ccn1
InChIInChI=1S/C16H27N3/c1-4-19(12-14-6-5-7-14)16-10-15(8-9-17-16)11-18-13(2)3/h8-10,13-14,18H,4-7,11-12H2,1-3H3
InChIKeySPQPRQWSGVIJQB-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-(ethylaminomethyl)pyridin-2-amine
CID 63940447
[2-[cyclopropylmethyl(ethyl)amino]-4-pyridinyl]methanol
CID 63955026
N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399963
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
[2-[cyclopropylmethyl(propyl)amino]-4-pyridinyl]methanol
CID 61445364
N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285974
N-[[2-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62387269
N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 55059522
N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283918
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 63657128
N-cyclopentyl-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62280213

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 107401875) is N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine is CCN(CC1CCC1)c1cc(CNC(C)C)ccn1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is SPQPRQWSGVIJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-19(12-14-6-5-7-14)16-10-15(8-9-17-16)11-18-13(2)3/h8-10,13-14,18H,4-7,11-12H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 107401875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).