N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride

C13H29ClN2 — CID 115615727

IUPACN'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride
SMILESCC(C)N(CCNCC(C)(C)C)C1CC1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-11(2)15(12-6-7-12)9-8-14-10-13(3,4)5;/h11-12,14H,6-10H2,1-5H3;1H
InChIKeyLTTRMBXUEHNJEX-UHFFFAOYSA-N
MW248.84 g/mol
LogP2.92
Rot. Bonds6

About N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride

N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride (PubChem CID 115615727) has the molecular formula C13H29ClN2 and a molecular weight of 248.84 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride
PubChem CID115615727
Molecular FormulaC13H29ClN2
Molecular Weight248.84 g/mol
Exact Mass248.20
IUPAC NameN'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride
SMILESCC(C)N(CCNCC(C)(C)C)C1CC1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-11(2)15(12-6-7-12)9-8-14-10-13(3,4)5;/h11-12,14H,6-10H2,1-5H3;1H
InChIKeyLTTRMBXUEHNJEX-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 176601683
N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635072
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607911
N'-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 10419294
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111609522
N'-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 115618903
N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 115686191
(2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017596
(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017595
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride (CID 115615727) is N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride is CC(C)N(CCNCC(C)(C)C)C1CC1.Cl.
What is the InChIKey of N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride?
The InChIKey is LTTRMBXUEHNJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.ClH/c1-11(2)15(12-6-7-12)9-8-14-10-13(3,4)5;/h11-12,14H,6-10H2,1-5H3;1H.
What are the key properties of N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride?
N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride has a molecular weight of 248.84 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 115615727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).