N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine

C20H31N — CID 107849959

IUPACN-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)(C)C1CCC(CNC2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H31N/c1-20(2,3)18-10-8-15(9-11-18)14-21-19-12-16-6-4-5-7-17(16)13-19/h4-7,15,18-19,21H,8-14H2,1-3H3
InChIKeyCBDHGZZPOSSLNL-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.60
Rot. Bonds3

About N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine

N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 107849959) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID107849959
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)(C)C1CCC(CNC2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H31N/c1-20(2,3)18-10-8-15(9-11-18)14-21-19-12-16-6-4-5-7-17(16)13-19/h4-7,15,18-19,21H,8-14H2,1-3H3
InChIKeyCBDHGZZPOSSLNL-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106127210
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599
4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one
CID 104665410
2-bromo-N-[(4-tert-butylcyclohexyl)methyl]aniline
CID 104574749
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 54915142
2-tert-butyl-2,3-dihydro-1H-indene;methane
CID 159665212
4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 115653911
N-(cyclopropylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine
CID 115306943
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
(3aS,4R)-N-(cyclopropylmethyl)-1,2,3,3a,4,5-hexahydroacenaphthylen-4-amine
CID 97356467
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348749

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 107849959) is N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine is CC(C)(C)C1CCC(CNC2Cc3ccccc3C2)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is CBDHGZZPOSSLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-20(2,3)18-10-8-15(9-11-18)14-21-19-12-16-6-4-5-7-17(16)13-19/h4-7,15,18-19,21H,8-14H2,1-3H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 285.47 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 107849959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).