[[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate

C19H34N2O2 — CID 175319977

IUPAC[[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC1CCC(N(CC2CC2)CC2CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-19(2,3)18(22)23-20-16-8-10-17(11-9-16)21(12-14-4-5-14)13-15-6-7-15/h14-17,20H,4-13H2,1-3H3
InChIKeyZOXMDWPQQWTBDW-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.51
Rot. Bonds7

About [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate

[[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate (PubChem CID 175319977) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate
PubChem CID175319977
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name[[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC1CCC(N(CC2CC2)CC2CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-19(2,3)18(22)23-20-16-8-10-17(11-9-16)21(12-14-4-5-14)13-15-6-7-15/h14-17,20H,4-13H2,1-3H3
InChIKeyZOXMDWPQQWTBDW-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-methylcyclohexyl)amino] 2,2-dimethylpropanoate
CID 87830167
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
[(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate
CID 174784577
2-(cyclopropylamino)-4-[cyclopropyl(cyclopropylmethyl)amino]-2-methylbutanamide
CID 64520054
1-[cyclopropyl(cyclopropylmethyl)amino]propan-2-one
CID 64522765
tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
CID 115609763
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
CID 64521644
2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid
CID 64521035
1-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropan-2-ol
CID 64520024
5-[cyclopropyl(cyclopropylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254953
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
CID 106806318
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 64522437

Frequently Asked Questions

What is the IUPAC name of [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate?
The IUPAC name of [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate (CID 175319977) is [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate?
The canonical SMILES for [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ONC1CCC(N(CC2CC2)CC2CC2)CC1.
What is the InChIKey of [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate?
The InChIKey is ZOXMDWPQQWTBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-19(2,3)18(22)23-20-16-8-10-17(11-9-16)21(12-14-4-5-14)13-15-6-7-15/h14-17,20H,4-13H2,1-3H3.
What are the key properties of [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate?
[[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate has a molecular weight of 322.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[bis(cyclopropylmethyl)amino]cyclohexyl]amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 175319977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).