1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine

C13H28N2 — CID 79063170

IUPAC1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(C1CC1)C(C)(CC)N(C)C
InChIInChI=1S/C13H28N2/c1-6-10-14-12(11-8-9-11)13(3,7-2)15(4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyYRMPCHZNWILPFK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds7

About 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine

1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine (PubChem CID 79063170) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
PubChem CID79063170
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(C1CC1)C(C)(CC)N(C)C
InChIInChI=1S/C13H28N2/c1-6-10-14-12(11-8-9-11)13(3,7-2)15(4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyYRMPCHZNWILPFK-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,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565
1-N-ethyl-2-N,2-N,2-trimethyl-1-(oxan-4-yl)butane-1,2-diamine
CID 79063154
2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 79059350
1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine
CID 64986880
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
CID 105027902
1-cycloheptyl-1-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105240548
1-cyclopropyl-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79068683
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine
CID 82922453
1-cyclopentyl-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 55187961
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
2-[cyclopropyl-[3-methyl-2-(propylamino)pentan-3-yl]amino]ethanol
CID 114274826

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine (CID 79063170) is 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine is CCCNC(C1CC1)C(C)(CC)N(C)C.
What is the InChIKey of 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is YRMPCHZNWILPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-10-14-12(11-8-9-11)13(3,7-2)15(4)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-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 1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79063170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).