2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine

C21H41NO — CID 91593011

IUPAC2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine
SMILESCCCOC1CC(C2(C(C)CC)CC2C(C)CN)CCCC1C
InChIInChI=1S/C21H41NO/c1-6-11-23-20-12-18(10-8-9-15(20)3)21(17(5)7-2)13-19(21)16(4)14-22/h15-20H,6-14,22H2,1-5H3
InChIKeyGEKPEFUKFQHSCA-UHFFFAOYSA-N
MW323.57 g/mol
LogP5.26
Rot. Bonds8

About 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine

2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine (PubChem CID 91593011) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine
PubChem CID91593011
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine
SMILESCCCOC1CC(C2(C(C)CC)CC2C(C)CN)CCCC1C
InChIInChI=1S/C21H41NO/c1-6-11-23-20-12-18(10-8-9-15(20)3)21(17(5)7-2)13-19(21)16(4)14-22/h15-20H,6-14,22H2,1-5H3
InChIKeyGEKPEFUKFQHSCA-UHFFFAOYSA-N
XLogP5.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine with MolForge

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Related Compounds

(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine
CID 163926539
13-Methyl-13-(oxiran-2-yl)tetradecan-1-amine
CID 53854964
3-Methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine
CID 126581818
2-(2-Methylheptoxy)butan-1-amine;1-methyl-3-propan-2-ylcycloheptane
CID 141828357
7-Ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine
CID 143945295
5-(2,2,3,3-Tetramethyldodecan-4-yloxy)pentan-1-amine
CID 150162386
3-(8-Methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine
CID 155238127
3-Ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine
CID 155419255
(7-Ethoxy-1,6-dimethyl-3-bicyclo[4.1.0]heptanyl)methanamine
CID 164135471
(3S)-5-cyclopropyl-10-methoxy-3,4-dimethyldecan-1-amine
CID 173738670
(2-Octan-2-yloxycycloheptyl)methanamine
CID 43294113
[2-(3,3,5-Trimethylcyclohexyl)oxycycloheptyl]methanamine
CID 43294136

Frequently Asked Questions

What is the IUPAC name of 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine?
The IUPAC name of 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine (CID 91593011) is 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine.
What is the SMILES notation for 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine?
The canonical SMILES for 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine is CCCOC1CC(C2(C(C)CC)CC2C(C)CN)CCCC1C.
What is the InChIKey of 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine?
The InChIKey is GEKPEFUKFQHSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-6-11-23-20-12-18(10-8-9-15(20)3)21(17(5)7-2)13-19(21)16(4)14-22/h15-20H,6-14,22H2,1-5H3.
What are the key properties of 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine?
2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine has a molecular weight of 323.57 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine is sourced from PubChem (CID 91593011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).