N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

C15H25N3 — CID 62557048

IUPACN'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1ccccn1)CC1CC1
InChIInChI=1S/C15H25N3/c1-13(2)18(12-14-6-7-14)10-9-16-11-15-5-3-4-8-17-15/h3-5,8,13-14,16H,6-7,9-12H2,1-2H3
InChIKeyYUEREEUCCKHDJG-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds8

About N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62557048) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID62557048
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1ccccn1)CC1CC1
InChIInChI=1S/C15H25N3/c1-13(2)18(12-14-6-7-14)10-9-16-11-15-5-3-4-8-17-15/h3-5,8,13-14,16H,6-7,9-12H2,1-2H3
InChIKeyYUEREEUCCKHDJG-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 62557048) is N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is CC(C)N(CCNCc1ccccn1)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is YUEREEUCCKHDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)18(12-14-6-7-14)10-9-16-11-15-5-3-4-8-17-15/h3-5,8,13-14,16H,6-7,9-12H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62557048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).