1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine

C12H26N2 — CID 116651334

IUPAC1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
SMILESCCC(C(C)C)N(C)C(CN)C1CC1
InChIInChI=1S/C12H26N2/c1-5-11(9(2)3)14(4)12(8-13)10-6-7-10/h9-12H,5-8,13H2,1-4H3
InChIKeyWBKPJCNEWWFBIF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds6

About 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine (PubChem CID 116651334) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
PubChem CID116651334
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
SMILESCCC(C(C)C)N(C)C(CN)C1CC1
InChIInChI=1S/C12H26N2/c1-5-11(9(2)3)14(4)12(8-13)10-6-7-10/h9-12H,5-8,13H2,1-4H3
InChIKeyWBKPJCNEWWFBIF-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488
1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658627
1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine
CID 116651397
2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide
CID 116653046
N,2-dimethyl-N-(2-methylpentan-3-yl)pentan-3-amine
CID 134315332
N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658601
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide
CID 116652512
(1S)-1-cyclopropyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 166781329
1-cyclopropyl-N,N-diethylethane-1,2-diamine
CID 43654980
1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine
CID 116651335
N-methyl-N-(3-methylbutan-2-yl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132615

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine (CID 116651334) is 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine is CCC(C(C)C)N(C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine?
The InChIKey is WBKPJCNEWWFBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11(9(2)3)14(4)12(8-13)10-6-7-10/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 116651334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).