2-N-cyclopropyl-2-propylhexane-1,2-diamine

C12H26N2 — CID 70326391

IUPAC2-N-cyclopropyl-2-propylhexane-1,2-diamine
SMILESCCCCC(CN)(CCC)NC1CC1
InChIInChI=1S/C12H26N2/c1-3-5-9-12(10-13,8-4-2)14-11-6-7-11/h11,14H,3-10,13H2,1-2H3
InChIKeyKJWHESUDZUUIFH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.43
Rot. Bonds8

About 2-N-cyclopropyl-2-propylhexane-1,2-diamine

2-N-cyclopropyl-2-propylhexane-1,2-diamine (PubChem CID 70326391) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-propylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-propylhexane-1,2-diamine
PubChem CID70326391
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-cyclopropyl-2-propylhexane-1,2-diamine
SMILESCCCCC(CN)(CCC)NC1CC1
InChIInChI=1S/C12H26N2/c1-3-5-9-12(10-13,8-4-2)14-11-6-7-11/h11,14H,3-10,13H2,1-2H3
InChIKeyKJWHESUDZUUIFH-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 581972
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CID 593646
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CID 18364433
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CID 19356919
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CID 19736235
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CID 19778694
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CID 20355209
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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-propylhexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-propylhexane-1,2-diamine (CID 70326391) is 2-N-cyclopropyl-2-propylhexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-propylhexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-propylhexane-1,2-diamine is CCCCC(CN)(CCC)NC1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-propylhexane-1,2-diamine?
The InChIKey is KJWHESUDZUUIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-5-9-12(10-13,8-4-2)14-11-6-7-11/h11,14H,3-10,13H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-2-propylhexane-1,2-diamine?
2-N-cyclopropyl-2-propylhexane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-propylhexane-1,2-diamine is sourced from PubChem (CID 70326391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).