(2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine

C15H32N2 — CID 58598112

IUPAC(2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)N[C@H](CC1CCCCCC1)CN(C)C
InChIInChI=1S/C15H32N2/c1-13(2)16-15(12-17(3)4)11-14-9-7-5-6-8-10-14/h13-16H,5-12H2,1-4H3/t15-/m1/s1
InChIKeyLKGOTBUWYVYBQS-OAHLLOKOSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds6

About (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine

(2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 58598112) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID58598112
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name(2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)N[C@H](CC1CCCCCC1)CN(C)C
InChIInChI=1S/C15H32N2/c1-13(2)16-15(12-17(3)4)11-14-9-7-5-6-8-10-14/h13-16H,5-12H2,1-4H3/t15-/m1/s1
InChIKeyLKGOTBUWYVYBQS-OAHLLOKOSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine (CID 58598112) is (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine is CC(C)N[C@H](CC1CCCCCC1)CN(C)C.
What is the InChIKey of (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is LKGOTBUWYVYBQS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)16-15(12-17(3)4)11-14-9-7-5-6-8-10-14/h13-16H,5-12H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine?
(2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 58598112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).