4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine

C17H24ClN3 — CID 114926855

IUPAC4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine
SMILESC#CCN(CC1CC1)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C17H24ClN3/c1-5-8-21(12-13-6-7-13)16-9-14(15(18)11-19-16)10-20-17(2,3)4/h1,9,11,13,20H,6-8,10,12H2,2-4H3
InChIKeyQHOXDOKXMWPLKM-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.47
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine

4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine (PubChem CID 114926855) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine
PubChem CID114926855
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine
SMILESC#CCN(CC1CC1)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C17H24ClN3/c1-5-8-21(12-13-6-7-13)16-9-14(15(18)11-19-16)10-20-17(2,3)4/h1,9,11,13,20H,6-8,10,12H2,2-4H3
InChIKeyQHOXDOKXMWPLKM-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(tert-butylamino)methyl]-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107401854
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 114925867
5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401902
N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114926497
4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
CID 114925367
N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine
CID 107380630
4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 114926488
5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928593
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
CID 114216445
5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 114926517
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]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine (CID 114926855) is 4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine is C#CCN(CC1CC1)c1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine?
The InChIKey is QHOXDOKXMWPLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-5-8-21(12-13-6-7-13)16-9-14(15(18)11-19-16)10-20-17(2,3)4/h1,9,11,13,20H,6-8,10,12H2,2-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine?
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.47, 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]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine is sourced from PubChem (CID 114926855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).