N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine

C12H26N2 — CID 79668549

IUPACN'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C1CCC1
InChIInChI=1S/C12H26N2/c1-4-8-14(11-6-5-7-11)10-12(2,3)9-13/h11H,4-10,13H2,1-3H3
InChIKeyJRFSZDDRRMRAQG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds6

About N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79668549) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79668549
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C1CCC1
InChIInChI=1S/C12H26N2/c1-4-8-14(11-6-5-7-11)10-12(2,3)9-13/h11H,4-10,13H2,1-3H3
InChIKeyJRFSZDDRRMRAQG-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79660148
N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830
N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79847083
N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine
CID 79660581
N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660402
N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine
CID 62263671
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
N,N-dipropylcyclodecanamine
CID 139723962
N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine
CID 79660758
2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
CID 115466816
N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
CID 79668335

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79668549) is N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C1CCC1.
What is the InChIKey of N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is JRFSZDDRRMRAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-8-14(11-6-5-7-11)10-12(2,3)9-13/h11H,4-10,13H2,1-3H3.
What are the key properties of N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79668549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).