(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium

C16H23N2+ — CID 88609613

IUPAC(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium
SMILESC[N+](C)(C)CCC(N)c1cccc2ccccc12
InChIInChI=1S/C16H23N2/c1-18(2,3)12-11-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16H,11-12,17H2,1-3H3/q+1
InChIKeyRSFSYFOAHHSDLD-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.94
Rot. Bonds4

About (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium

(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium (PubChem CID 88609613) has the molecular formula C16H23N2+ and a molecular weight of 243.37 g/mol. Its IUPAC name is (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium.

Molecular Properties

Compound Name(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium
PubChem CID88609613
Molecular FormulaC16H23N2+
Molecular Weight243.37 g/mol
Exact Mass243.19
IUPAC Name(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium
SMILESC[N+](C)(C)CCC(N)c1cccc2ccccc12
InChIInChI=1S/C16H23N2/c1-18(2,3)12-11-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16H,11-12,17H2,1-3H3/q+1
InChIKeyRSFSYFOAHHSDLD-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592
4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528
methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
CID 91999379

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium?
The IUPAC name of (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium (CID 88609613) is (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium.
What is the SMILES notation for (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium?
The canonical SMILES for (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium is C[N+](C)(C)CCC(N)c1cccc2ccccc12.
What is the InChIKey of (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium?
The InChIKey is RSFSYFOAHHSDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2/c1-18(2,3)12-11-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16H,11-12,17H2,1-3H3/q+1.
What are the key properties of (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium?
(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium has a molecular weight of 243.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium is sourced from PubChem (CID 88609613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).