(1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine

C15H34N2 — CID 174146484

IUPAC(1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine
SMILESCCC[C@@H](CC(CC)CC)[C@H](C)N[C@H](C)NC
InChIInChI=1S/C15H34N2/c1-7-10-15(11-14(8-2)9-3)12(4)17-13(5)16-6/h12-17H,7-11H2,1-6H3/t12-,13+,15-/m0/s1
InChIKeyOSYBDWWWBOOABJ-GUTXKFCHSA-N
MW242.45 g/mol
LogP3.77
Rot. Bonds10

About (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine

(1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine (PubChem CID 174146484) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine.

Molecular Properties

Compound Name(1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine
PubChem CID174146484
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name(1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine
SMILESCCC[C@@H](CC(CC)CC)[C@H](C)N[C@H](C)NC
InChIInChI=1S/C15H34N2/c1-7-10-15(11-14(8-2)9-3)12(4)17-13(5)16-6/h12-17H,7-11H2,1-6H3/t12-,13+,15-/m0/s1
InChIKeyOSYBDWWWBOOABJ-GUTXKFCHSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,5-diethyl-N-methylheptan-2-amine
CID 82928045
3,5-diethyl-2-methyloctane
CID 57491216
3,5-diethyl-N-propylheptan-2-amine
CID 82928149
N-methyl-3-propylheptan-2-amine
CID 123465909
4,5,7-triethylundecane
CID 123222302
1-N,4-N-dimethyl-3-propylpentane-1,4-diamine
CID 143945019
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
3-ethyl-N-(3-ethylpentan-2-yl)pentan-2-amine
CID 87914050
3,7-diethyl-5-pentan-3-ylnonane
CID 173210020
3-ethyl-2-methanidylhexane
CID 90757156
4,5-diethyloctane
CID 519254
4-ethyl-N-methyl-2-propan-2-yloctan-1-amine
CID 63521141

Frequently Asked Questions

What is the IUPAC name of (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine?
The IUPAC name of (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine (CID 174146484) is (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine.
What is the SMILES notation for (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine?
The canonical SMILES for (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine is CCC[C@@H](CC(CC)CC)[C@H](C)N[C@H](C)NC.
What is the InChIKey of (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine?
The InChIKey is OSYBDWWWBOOABJ-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-10-15(11-14(8-2)9-3)12(4)17-13(5)16-6/h12-17H,7-11H2,1-6H3/t12-,13+,15-/m0/s1.
What are the key properties of (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine?
(1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine is sourced from PubChem (CID 174146484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).