N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine

C13H28N2 — CID 65296505

IUPACN'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine
SMILESCC(C)(CCN)CCCNC1CC1(C)C
InChIInChI=1S/C13H28N2/c1-12(2,7-8-14)6-5-9-15-11-10-13(11,3)4/h11,15H,5-10,14H2,1-4H3
InChIKeyXISCJMVDUVTTLQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds7

About N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine

N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine (PubChem CID 65296505) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine
PubChem CID65296505
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine
SMILESCC(C)(CCN)CCCNC1CC1(C)C
InChIInChI=1S/C13H28N2/c1-12(2,7-8-14)6-5-9-15-11-10-13(11,3)4/h11,15H,5-10,14H2,1-4H3
InChIKeyXISCJMVDUVTTLQ-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine?
The IUPAC name of N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine (CID 65296505) is N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine.
What is the SMILES notation for N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine?
The canonical SMILES for N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine is CC(C)(CCN)CCCNC1CC1(C)C.
What is the InChIKey of N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine?
The InChIKey is XISCJMVDUVTTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2,7-8-14)6-5-9-15-11-10-13(11,3)4/h11,15H,5-10,14H2,1-4H3.
What are the key properties of N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine?
N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine is sourced from PubChem (CID 65296505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).