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

C14H27NO — CID 60662731

IUPACN-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOCCCNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H27NO/c1-13(2)11-6-7-14(13,3)12(10-11)15-8-5-9-16-4/h11-12,15H,5-10H2,1-4H3
InChIKeyLCZAOYLRNUHKLE-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds5

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

N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 60662731) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID60662731
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOCCCNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H27NO/c1-13(2)11-6-7-14(13,3)12(10-11)15-8-5-9-16-4/h11-12,15H,5-10H2,1-4H3
InChIKeyLCZAOYLRNUHKLE-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
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

(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115572582
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
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
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine
CID 60669267
sulfuric acid;2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethanethiol
CID 71439540

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 60662731) is N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is COCCCNC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is LCZAOYLRNUHKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2)11-6-7-14(13,3)12(10-11)15-8-5-9-16-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 60662731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).