1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine

C16H24N2 — CID 90396949

IUPAC1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-17-13-7-9-14(10-8-13)18-16-11-15(16)12-5-3-2-4-6-12/h2-6,13-18H,7-11H2,1H3/t13?,14?,15-,16+/m1/s1
InChIKeyZRCDNYZZNYQDNU-FJBKBRRZSA-N
MW244.38 g/mol
LogP2.66
Rot. Bonds4

About 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine

1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine (PubChem CID 90396949) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine
PubChem CID90396949
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-17-13-7-9-14(10-8-13)18-16-11-15(16)12-5-3-2-4-6-12/h2-6,13-18H,7-11H2,1H3/t13?,14?,15-,16+/m1/s1
InChIKeyZRCDNYZZNYQDNU-FJBKBRRZSA-N
XLogP2.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine (CID 90396949) is 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine is CNC1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is ZRCDNYZZNYQDNU-FJBKBRRZSA-N. The full InChI is InChI=1S/C16H24N2/c1-17-13-7-9-14(10-8-13)18-16-11-15(16)12-5-3-2-4-6-12/h2-6,13-18H,7-11H2,1H3/t13?,14?,15-,16+/m1/s1.
What are the key properties of 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine?
1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 90396949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).