N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine

C10H17N3 — CID 62662678

IUPACN'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
SMILESCC(C)NCCNc1ccncc1
InChIInChI=1S/C10H17N3/c1-9(2)12-7-8-13-10-3-5-11-6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,11,13)
InChIKeyJUGWDHGJHIJHMV-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.49
Rot. Bonds5

About N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine

N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine (PubChem CID 62662678) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
PubChem CID62662678
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
SMILESCC(C)NCCNc1ccncc1
InChIInChI=1S/C10H17N3/c1-9(2)12-7-8-13-10-3-5-11-6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,11,13)
InChIKeyJUGWDHGJHIJHMV-UHFFFAOYSA-N
XLogP1.49
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-propyl-N'-pyridin-4-ylethane-1,2-diamine
CID 62664105
1-N-pyridin-4-ylpentane-1,4-diamine
CID 106127738
N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206213
N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
2-methyl-4-(pyridin-4-ylamino)butanoic acid
CID 80539478
N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809763
N-(2-methylbutyl)pyridin-4-amine
CID 62693960
4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119
N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809625
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312
4-(pyridin-4-ylamino)butan-2-one
CID 89125446

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine (CID 62662678) is N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine is CC(C)NCCNc1ccncc1.
What is the InChIKey of N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine?
The InChIKey is JUGWDHGJHIJHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2)12-7-8-13-10-3-5-11-6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,11,13).
What are the key properties of N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine?
N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62662678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).