1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine

C10H24N2 — CID 18965088

IUPAC1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine
SMILESCCNCC(N)(C(C)C)C(C)C
InChIInChI=1S/C10H24N2/c1-6-12-7-10(11,8(2)3)9(4)5/h8-9,12H,6-7,11H2,1-5H3
InChIKeyWTVRERAOGXSEBK-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.61
Rot. Bonds5

About 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine

1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine (PubChem CID 18965088) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine
PubChem CID18965088
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine
SMILESCCNCC(N)(C(C)C)C(C)C
InChIInChI=1S/C10H24N2/c1-6-12-7-10(11,8(2)3)9(4)5/h8-9,12H,6-7,11H2,1-5H3
InChIKeyWTVRERAOGXSEBK-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine (CID 18965088) is 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine is CCNCC(N)(C(C)C)C(C)C.
What is the InChIKey of 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine?
The InChIKey is WTVRERAOGXSEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-12-7-10(11,8(2)3)9(4)5/h8-9,12H,6-7,11H2,1-5H3.
What are the key properties of 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine?
1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-methyl-2-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 18965088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).