2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine

C10H22N2 — CID 81080370

IUPAC2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine
SMILESCCC(CN)CCNC1CC1C
InChIInChI=1S/C10H22N2/c1-3-9(7-11)4-5-12-10-6-8(10)2/h8-10,12H,3-7,11H2,1-2H3
InChIKeyAKSRKVKLXGYDGX-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds6

About 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine

2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine (PubChem CID 81080370) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine
PubChem CID81080370
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine
SMILESCCC(CN)CCNC1CC1C
InChIInChI=1S/C10H22N2/c1-3-9(7-11)4-5-12-10-6-8(10)2/h8-10,12H,3-7,11H2,1-2H3
InChIKeyAKSRKVKLXGYDGX-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine?
The IUPAC name of 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine (CID 81080370) is 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine.
What is the SMILES notation for 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine?
The canonical SMILES for 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine is CCC(CN)CCNC1CC1C.
What is the InChIKey of 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine?
The InChIKey is AKSRKVKLXGYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-9(7-11)4-5-12-10-6-8(10)2/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine?
2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine is sourced from PubChem (CID 81080370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).