5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine

C16H22BrN3 — CID 64519885

IUPAC5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine
SMILESBrc1cnc(N(CC2CC2)C2CC2)c(CNC2CC2)c1
InChIInChI=1S/C16H22BrN3/c17-13-7-12(8-18-14-3-4-14)16(19-9-13)20(15-5-6-15)10-11-1-2-11/h7,9,11,14-15,18H,1-6,8,10H2
InChIKeyXKFGVUDBMBWUDP-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.47
Rot. Bonds7

About 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine

5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine (PubChem CID 64519885) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine
PubChem CID64519885
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine
SMILESBrc1cnc(N(CC2CC2)C2CC2)c(CNC2CC2)c1
InChIInChI=1S/C16H22BrN3/c17-13-7-12(8-18-14-3-4-14)16(19-9-13)20(15-5-6-15)10-11-1-2-11/h7,9,11,14-15,18H,1-6,8,10H2
InChIKeyXKFGVUDBMBWUDP-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 64521675
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62284947
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
N'-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997407
2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191503
5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952955
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63487745
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62283013
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine (CID 64519885) is 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine is Brc1cnc(N(CC2CC2)C2CC2)c(CNC2CC2)c1.
What is the InChIKey of 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine?
The InChIKey is XKFGVUDBMBWUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c17-13-7-12(8-18-14-3-4-14)16(19-9-13)20(15-5-6-15)10-11-1-2-11/h7,9,11,14-15,18H,1-6,8,10H2.
What are the key properties of 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine?
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine has a molecular weight of 336.28 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine is sourced from PubChem (CID 64519885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).