N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine

C14H26N2 — CID 66899581

IUPACN-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESCCCCCNC1C2CC3CC1CN(C3)C2
InChIInChI=1S/C14H26N2/c1-2-3-4-5-15-14-12-6-11-7-13(14)10-16(8-11)9-12/h11-15H,2-10H2,1H3
InChIKeyIVTDSILIMUJGOM-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds5

About N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine

N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine (PubChem CID 66899581) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine.

Molecular Properties

Compound NameN-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
PubChem CID66899581
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESCCCCCNC1C2CC3CC1CN(C3)C2
InChIInChI=1S/C14H26N2/c1-2-3-4-5-15-14-12-6-11-7-13(14)10-16(8-11)9-12/h11-15H,2-10H2,1H3
InChIKeyIVTDSILIMUJGOM-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
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

(1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 118712523
{2-Methyl-2-azabicyclo[2.2.2]octan-6-yl}methanamine dihydrochloride
CID 121553181
Azoniaadamantane chloride
CID 19350496
1-Azoniatricyclo[3.3.1.13,7]decane
CID 21679413
9-Piperidino-3-azabicyclo[3.3.1]nonane
CID 129755779
Azoniaadamantane bromide
CID 129813978
Azoniaadamantane iodide
CID 129814116
(1S,2S,7R,8S)-3,9-diazatricyclo[6.2.2.02,7]dodecane
CID 101934707
(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine
CID 11073616
4,8,8-Trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
CID 12462314
2-Methyl-2-azabicyclo[2.2.2]octan-5-amine
CID 14788283
1-Azatricyclo[3.3.1.1^{3,7}]decan-4-amine
CID 15686618

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The IUPAC name of N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine (CID 66899581) is N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine.
What is the SMILES notation for N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The canonical SMILES for N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine is CCCCCNC1C2CC3CC1CN(C3)C2.
What is the InChIKey of N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The InChIKey is IVTDSILIMUJGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-3-4-5-15-14-12-6-11-7-13(14)10-16(8-11)9-12/h11-15H,2-10H2,1H3.
What are the key properties of N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine?
N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-azatricyclo[3.3.1.13,7]decan-4-amine is sourced from PubChem (CID 66899581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).