4-(2-cycloheptylcyclobutyl)cyclononan-1-amine

C20H37N — CID 139360587

IUPAC4-(2-cycloheptylcyclobutyl)cyclononan-1-amine
SMILESNC1CCCCCC(C2CCC2C2CCCCCC2)CC1
InChIInChI=1S/C20H37N/c21-18-11-7-3-6-10-17(12-13-18)20-15-14-19(20)16-8-4-1-2-5-9-16/h16-20H,1-15,21H2
InChIKeyWOOUSPBNVWUPES-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.67
Rot. Bonds2

About 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine

4-(2-cycloheptylcyclobutyl)cyclononan-1-amine (PubChem CID 139360587) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine.

Molecular Properties

Compound Name4-(2-cycloheptylcyclobutyl)cyclononan-1-amine
PubChem CID139360587
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name4-(2-cycloheptylcyclobutyl)cyclononan-1-amine
SMILESNC1CCCCCC(C2CCC2C2CCCCCC2)CC1
InChIInChI=1S/C20H37N/c21-18-11-7-3-6-10-17(12-13-18)20-15-14-19(20)16-8-4-1-2-5-9-16/h16-20H,1-15,21H2
InChIKeyWOOUSPBNVWUPES-UHFFFAOYSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 145133460
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
cyclohexanamine;thiohydroxylamine
CID 143520299
carbanide;cyclododecanamine;titanium(2+)
CID 174995468
bis(cycloheptanamine);platinum(2+);dichloride
CID 3038593
azane;cyclopentanamine
CID 69254255
CID 175698442
CID 175698442
cyclopentanamine;platinum(2+)
CID 21144800
octacyclo[35.20.1.19,29.112,27.114,23.139,54.04,32.043,51]dohexacontan-47-amine
CID 170074964

Frequently Asked Questions

What is the IUPAC name of 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine?
The IUPAC name of 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine (CID 139360587) is 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine.
What is the SMILES notation for 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine?
The canonical SMILES for 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine is NC1CCCCCC(C2CCC2C2CCCCCC2)CC1.
What is the InChIKey of 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine?
The InChIKey is WOOUSPBNVWUPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c21-18-11-7-3-6-10-17(12-13-18)20-15-14-19(20)16-8-4-1-2-5-9-16/h16-20H,1-15,21H2.
What are the key properties of 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine?
4-(2-cycloheptylcyclobutyl)cyclononan-1-amine has a molecular weight of 291.52 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cycloheptylcyclobutyl)cyclononan-1-amine is sourced from PubChem (CID 139360587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).