N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine

C17H29N3 — CID 62287283

IUPACN-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CNCc1cccc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C17H29N3/c1-13(2)10-18-11-16-6-5-7-17(19-16)20(14(3)4)12-15-8-9-15/h5-7,13-15,18H,8-12H2,1-4H3
InChIKeyCXJYSVHTERDTLE-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.45
Rot. Bonds8

About N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine

N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine (PubChem CID 62287283) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
PubChem CID62287283
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CNCc1cccc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C17H29N3/c1-13(2)10-18-11-16-6-5-7-17(19-16)20(14(3)4)12-15-8-9-15/h5-7,13-15,18H,8-12H2,1-4H3
InChIKeyCXJYSVHTERDTLE-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine (CID 62287283) is N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine is CC(C)CNCc1cccc(N(CC2CC2)C(C)C)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is CXJYSVHTERDTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)10-18-11-16-6-5-7-17(19-16)20(14(3)4)12-15-8-9-15/h5-7,13-15,18H,8-12H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 62287283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).