N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine

C18H40N4 — CID 11609318

IUPACN-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine
SMILESCCNCCCCNCC1CCC1CNCCCCNCC
InChIInChI=1S/C18H40N4/c1-3-19-11-5-7-13-21-15-17-9-10-18(17)16-22-14-8-6-12-20-4-2/h17-22H,3-16H2,1-2H3
InChIKeyYKLZLOYSULJBBB-UHFFFAOYSA-N
MW312.55 g/mol
LogP1.97
Rot. Bonds16

About N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine

N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine (PubChem CID 11609318) has the molecular formula C18H40N4 and a molecular weight of 312.55 g/mol. Its IUPAC name is N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine
PubChem CID11609318
Molecular FormulaC18H40N4
Molecular Weight312.55 g/mol
Exact Mass312.33
IUPAC NameN-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine
SMILESCCNCCCCNCC1CCC1CNCCCCNCC
InChIInChI=1S/C18H40N4/c1-3-19-11-5-7-13-21-15-17-9-10-18(17)16-22-14-8-6-12-20-4-2/h17-22H,3-16H2,1-2H3
InChIKeyYKLZLOYSULJBBB-UHFFFAOYSA-N
XLogP1.97
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine?
The IUPAC name of N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine (CID 11609318) is N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine is CCNCCCCNCC1CCC1CNCCCCNCC.
What is the InChIKey of N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine?
The InChIKey is YKLZLOYSULJBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4/c1-3-19-11-5-7-13-21-15-17-9-10-18(17)16-22-14-8-6-12-20-4-2/h17-22H,3-16H2,1-2H3.
What are the key properties of N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine?
N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine has a molecular weight of 312.55 g/mol, XLogP of 1.97, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclobutyl]methyl]butane-1,4-diamine is sourced from PubChem (CID 11609318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).