N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine

C13H28N2 — CID 96923102

IUPACN,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
SMILESC[C@H]1CCC[C@H]1NCC(C)(C)CN(C)C
InChIInChI=1S/C13H28N2/c1-11-7-6-8-12(11)14-9-13(2,3)10-15(4)5/h11-12,14H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyFGSAQLGDUXHPGX-NWDGAFQWSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds5

About N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine (PubChem CID 96923102) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
PubChem CID96923102
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
SMILESC[C@H]1CCC[C@H]1NCC(C)(C)CN(C)C
InChIInChI=1S/C13H28N2/c1-11-7-6-8-12(11)14-9-13(2,3)10-15(4)5/h11-12,14H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyFGSAQLGDUXHPGX-NWDGAFQWSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine (CID 96923102) is N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine is C[C@H]1CCC[C@H]1NCC(C)(C)CN(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine?
The InChIKey is FGSAQLGDUXHPGX-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H28N2/c1-11-7-6-8-12(11)14-9-13(2,3)10-15(4)5/h11-12,14H,6-10H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine is sourced from PubChem (CID 96923102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).