N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C17H27N3 — CID 62560654

IUPACN-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCNC(C1CC1)C1CC1)CCc1ccncc1
InChIInChI=1S/C17H27N3/c1-20(12-8-14-6-9-18-10-7-14)13-11-19-17(15-2-3-15)16-4-5-16/h6-7,9-10,15-17,19H,2-5,8,11-13H2,1H3
InChIKeyONBWCWFXSGSPKX-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.33
Rot. Bonds9

About N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 62560654) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID62560654
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCNC(C1CC1)C1CC1)CCc1ccncc1
InChIInChI=1S/C17H27N3/c1-20(12-8-14-6-9-18-10-7-14)13-11-19-17(15-2-3-15)16-4-5-16/h6-7,9-10,15-17,19H,2-5,8,11-13H2,1H3
InChIKeyONBWCWFXSGSPKX-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 63725313
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62426370
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067423
2-(cyclopropylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 63054235
2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine
CID 116679477
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557701
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560097

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 62560654) is N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is CN(CCNC(C1CC1)C1CC1)CCc1ccncc1.
What is the InChIKey of N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is ONBWCWFXSGSPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-20(12-8-14-6-9-18-10-7-14)13-11-19-17(15-2-3-15)16-4-5-16/h6-7,9-10,15-17,19H,2-5,8,11-13H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).