N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine

C24H51N3 — CID 171657952

IUPACN'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine
SMILESCCN(CCC(C)CN(C)CC(C)CCN(CC)C(C)C)CC1(CC)CC1
InChIInChI=1S/C24H51N3/c1-9-24(14-15-24)20-26(10-2)16-12-22(6)18-25(8)19-23(7)13-17-27(11-3)21(4)5/h21-23H,9-20H2,1-8H3
InChIKeyONEUNRJSOGYEPG-UHFFFAOYSA-N
MW381.69 g/mol
LogP5.21
Rot. Bonds16

About N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine

N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine (PubChem CID 171657952) has the molecular formula C24H51N3 and a molecular weight of 381.69 g/mol. Its IUPAC name is N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine
PubChem CID171657952
Molecular FormulaC24H51N3
Molecular Weight381.69 g/mol
Exact Mass381.41
IUPAC NameN'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine
SMILESCCN(CCC(C)CN(C)CC(C)CCN(CC)C(C)C)CC1(CC)CC1
InChIInChI=1S/C24H51N3/c1-9-24(14-15-24)20-26(10-2)16-12-22(6)18-25(8)19-23(7)13-17-27(11-3)21(4)5/h21-23H,9-20H2,1-8H3
InChIKeyONEUNRJSOGYEPG-UHFFFAOYSA-N
XLogP5.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine (CID 171657952) is N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine is CCN(CCC(C)CN(C)CC(C)CCN(CC)C(C)C)CC1(CC)CC1.
What is the InChIKey of N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine?
The InChIKey is ONEUNRJSOGYEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N3/c1-9-24(14-15-24)20-26(10-2)16-12-22(6)18-25(8)19-23(7)13-17-27(11-3)21(4)5/h21-23H,9-20H2,1-8H3.
What are the key properties of N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine?
N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine has a molecular weight of 381.69 g/mol, XLogP of 5.21, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(1-ethylcyclopropyl)methyl]-N-[4-[ethyl(propan-2-yl)amino]-2-methylbutyl]-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 171657952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).