N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine

C13H28N2 — CID 107445909

IUPACN'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine
SMILESC[C@H](NCCNC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H28N2/c1-11(12-7-5-6-8-12)14-9-10-15-13(2,3)4/h11-12,14-15H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyRRQJGMPLALSEON-NSHDSACASA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds5

About N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine

N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine (PubChem CID 107445909) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine
PubChem CID107445909
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine
SMILESC[C@H](NCCNC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H28N2/c1-11(12-7-5-6-8-12)14-9-10-15-13(2,3)4/h11-12,14-15H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyRRQJGMPLALSEON-NSHDSACASA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
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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Related Compounds

N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
4-[[(1S)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384605
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
CID 81384504
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine (CID 107445909) is N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine is C[C@H](NCCNC(C)(C)C)C1CCCC1.
What is the InChIKey of N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine?
The InChIKey is RRQJGMPLALSEON-NSHDSACASA-N. The full InChI is InChI=1S/C13H28N2/c1-11(12-7-5-6-8-12)14-9-10-15-13(2,3)4/h11-12,14-15H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine is sourced from PubChem (CID 107445909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).