2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine

C13H21N3 — CID 66280411

IUPAC2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
SMILESCc1cnc(N(CC2CC2)C(C)C)c(N)c1
InChIInChI=1S/C13H21N3/c1-9(2)16(8-11-4-5-11)13-12(14)6-10(3)7-15-13/h6-7,9,11H,4-5,8,14H2,1-3H3
InChIKeyLIYDJAUSXUCMNB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds4

About 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine

2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine (PubChem CID 66280411) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
PubChem CID66280411
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
SMILESCc1cnc(N(CC2CC2)C(C)C)c(N)c1
InChIInChI=1S/C13H21N3/c1-9(2)16(8-11-4-5-11)13-12(14)6-10(3)7-15-13/h6-7,9,11H,4-5,8,14H2,1-3H3
InChIKeyLIYDJAUSXUCMNB-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine (CID 66280411) is 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine is Cc1cnc(N(CC2CC2)C(C)C)c(N)c1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine?
The InChIKey is LIYDJAUSXUCMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)16(8-11-4-5-11)13-12(14)6-10(3)7-15-13/h6-7,9,11H,4-5,8,14H2,1-3H3.
What are the key properties of 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine?
2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 66280411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).