2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine

C13H28N2 — CID 62422016

IUPAC2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCN(C1CC1)C(CNC(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-6-15(12-7-8-12)13(10(2)3)9-14-11(4)5/h10-14H,6-9H2,1-5H3
InChIKeyGCSHFYNFYMFIIX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds7

About 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine

2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 62422016) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID62422016
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCN(C1CC1)C(CNC(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-6-15(12-7-8-12)13(10(2)3)9-14-11(4)5/h10-14H,6-9H2,1-5H3
InChIKeyGCSHFYNFYMFIIX-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopentyl-2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
CID 62422117
2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55074751
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63938927
2-N-cyclopropyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 83043131
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532
2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 62421973
2-N-cyclopropyl-2-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62429365
2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62424090
2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 55072677
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62422151
1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62422950

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine (CID 62422016) is 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine is CCN(C1CC1)C(CNC(C)C)C(C)C.
What is the InChIKey of 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is GCSHFYNFYMFIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-15(12-7-8-12)13(10(2)3)9-14-11(4)5/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine?
2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 62422016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).