2-tert-butyl-N'-cyclopropylpropane-1,3-diamine

C10H22N2 — CID 117242312

IUPAC2-tert-butyl-N'-cyclopropylpropane-1,3-diamine
SMILESCC(C)(C)C(CN)CNC1CC1
InChIInChI=1S/C10H22N2/c1-10(2,3)8(6-11)7-12-9-4-5-9/h8-9,12H,4-7,11H2,1-3H3
InChIKeyKACNIHFLLQUTLQ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds4

About 2-tert-butyl-N'-cyclopropylpropane-1,3-diamine

2-tert-butyl-N'-cyclopropylpropane-1,3-diamine (PubChem CID 117242312) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-tert-butyl-N'-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound Name2-tert-butyl-N'-cyclopropylpropane-1,3-diamine
PubChem CID117242312
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-tert-butyl-N'-cyclopropylpropane-1,3-diamine
SMILESCC(C)(C)C(CN)CNC1CC1
InChIInChI=1S/C10H22N2/c1-10(2,3)8(6-11)7-12-9-4-5-9/h8-9,12H,4-7,11H2,1-3H3
InChIKeyKACNIHFLLQUTLQ-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-tert-butyl-N'-cyclopropylpropane-1,3-diamine?
The IUPAC name of 2-tert-butyl-N'-cyclopropylpropane-1,3-diamine (CID 117242312) is 2-tert-butyl-N'-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for 2-tert-butyl-N'-cyclopropylpropane-1,3-diamine?
The canonical SMILES for 2-tert-butyl-N'-cyclopropylpropane-1,3-diamine is CC(C)(C)C(CN)CNC1CC1.
What is the InChIKey of 2-tert-butyl-N'-cyclopropylpropane-1,3-diamine?
The InChIKey is KACNIHFLLQUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2,3)8(6-11)7-12-9-4-5-9/h8-9,12H,4-7,11H2,1-3H3.
What are the key properties of 2-tert-butyl-N'-cyclopropylpropane-1,3-diamine?
2-tert-butyl-N'-cyclopropylpropane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N'-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 117242312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).