N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine

C15H31NO2 — CID 66586880

IUPACN-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine
SMILESCCC(C(OC)OC)N(C(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO2/c1-6-14(15(17-4)18-5)16(12(2)3)13-10-8-7-9-11-13/h12-15H,6-11H2,1-5H3
InChIKeyTWMYBLSETOHLDL-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.43
Rot. Bonds7

About N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine

N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine (PubChem CID 66586880) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine.

Molecular Properties

Compound NameN-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine
PubChem CID66586880
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine
SMILESCCC(C(OC)OC)N(C(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO2/c1-6-14(15(17-4)18-5)16(12(2)3)13-10-8-7-9-11-13/h12-15H,6-11H2,1-5H3
InChIKeyTWMYBLSETOHLDL-UHFFFAOYSA-N
XLogP3.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopentyl(propan-2-yl)amino]propan-1-ol
CID 176871786
2-N-cyclopentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 83817405
N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
CID 143070375
2-[1-aminopropyl(cyclohexyl)amino]propanenitrile
CID 175407129
N'-cyclohexyl-N'-propan-2-ylmethanediamine
CID 54225013
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
CID 142239228
N-butan-2-yl-N-[1-[butan-2-yl(cyclopentyl)amino]silylethylsilyl]cyclopentanamine
CID 123939290
N-ethyl-N-(3-methylpentyl)cyclohexanamine
CID 142032540
1,1-dicyclohexyl-2,2-di(propan-2-yl)hydrazine
CID 57240749
methyl 2-[cyclohexyl(propan-2-yl)amino]acetate
CID 62025887
3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
CID 79585815
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine?
The IUPAC name of N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine (CID 66586880) is N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine.
What is the SMILES notation for N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine?
The canonical SMILES for N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine is CCC(C(OC)OC)N(C(C)C)C1CCCCC1.
What is the InChIKey of N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine?
The InChIKey is TWMYBLSETOHLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-14(15(17-4)18-5)16(12(2)3)13-10-8-7-9-11-13/h12-15H,6-11H2,1-5H3.
What are the key properties of N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine?
N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine has a molecular weight of 257.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxybutan-2-yl)-N-propan-2-ylcyclohexanamine is sourced from PubChem (CID 66586880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).