N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C17H33NO — CID 115572582

IUPACN-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCOCCCNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H33NO/c1-5-6-11-19-12-7-10-18-15-13-14-8-9-17(15,4)16(14,2)3/h14-15,18H,5-13H2,1-4H3
InChIKeyLREAXSDHBNWGSC-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.00
Rot. Bonds8

About N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 115572582) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID115572582
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCOCCCNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H33NO/c1-5-6-11-19-12-7-10-18-15-13-14-8-9-17(15,4)16(14,2)3/h14-15,18H,5-13H2,1-4H3
InChIKeyLREAXSDHBNWGSC-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.00
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-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60662731
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
N'-methyl-N'-propan-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 106040590
N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 106008535
N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114158528
N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63828343
N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine
CID 115704494
1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine
CID 60669267

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 115572582) is N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CCCCOCCCNC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is LREAXSDHBNWGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-6-11-19-12-7-10-18-15-13-14-8-9-17(15,4)16(14,2)3/h14-15,18H,5-13H2,1-4H3.
What are the key properties of N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115572582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).