N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C18H27NO — CID 82821151

IUPACN-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1NCCCOCC1CC1
InChIInChI=1S/C18H27NO/c1-18(2)12-15-6-3-4-7-16(15)17(18)19-10-5-11-20-13-14-8-9-14/h3-4,6-7,14,17,19H,5,8-13H2,1-2H3
InChIKeyGZIRCQWWWONYQM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.72
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82821151) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82821151
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1NCCCOCC1CC1
InChIInChI=1S/C18H27NO/c1-18(2)12-15-6-3-4-7-16(15)17(18)19-10-5-11-20-13-14-8-9-14/h3-4,6-7,14,17,19H,5,8-13H2,1-2H3
InChIKeyGZIRCQWWWONYQM-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821247
6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067284
N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821544
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040884
2,2-dimethyl-N-(2-phenylethyl)-1,3-dihydroinden-1-amine
CID 82820863
2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
CID 82814406
4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol
CID 106245547
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113450019
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide
CID 82821829
6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine
CID 83067283
2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
CID 114331575
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide
CID 106334648

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82821151) is N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccccc2C1NCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is GZIRCQWWWONYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)12-15-6-3-4-7-16(15)17(18)19-10-5-11-20-13-14-8-9-14/h3-4,6-7,14,17,19H,5,8-13H2,1-2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82821151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).