4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine

C11H24N2O — CID 141338808

IUPAC4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine
SMILESCOCC(C)(C)NC1CCC(N)CC1
InChIInChI=1S/C11H24N2O/c1-11(2,8-14-3)13-10-6-4-9(12)5-7-10/h9-10,13H,4-8,12H2,1-3H3
InChIKeyIAJVWRKTKSCPCY-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.27
Rot. Bonds4

About 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine

4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine (PubChem CID 141338808) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine
PubChem CID141338808
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine
SMILESCOCC(C)(C)NC1CCC(N)CC1
InChIInChI=1S/C11H24N2O/c1-11(2,8-14-3)13-10-6-4-9(12)5-7-10/h9-10,13H,4-8,12H2,1-3H3
InChIKeyIAJVWRKTKSCPCY-UHFFFAOYSA-N
XLogP1.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
CID 115906089
2-(4-aminocyclohexyl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 113470824
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
2-(cyclopropylamino)-2-methylpropan-1-ol
CID 61056004
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide
CID 63290314
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416
N-(4-aminocyclohexyl)-2,2-dimethylbutanamide
CID 62678396
2-amino-N-(4-aminocyclohexyl)-2-methylpropanamide
CID 62319991
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
CID 159889394
2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine
CID 115629390

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine (CID 141338808) is 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine is COCC(C)(C)NC1CCC(N)CC1.
What is the InChIKey of 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine?
The InChIKey is IAJVWRKTKSCPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,8-14-3)13-10-6-4-9(12)5-7-10/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine?
4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 141338808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).