(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride

C16H22Cl2N2 — CID 67407230

IUPAC(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
SMILESC[C@@H](N[C@@H]1CCNC1)c1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H20N2.2ClH/c1-12(18-14-9-10-17-11-14)15-8-4-6-13-5-2-3-7-16(13)15;;/h2-8,12,14,17-18H,9-11H2,1H3;2*1H/t12-,14-;;/m1../s1
InChIKeyQOLKLDKJLWSIHG-OJNIYTAOSA-N
MW313.27 g/mol
LogP3.70
Rot. Bonds3

About (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride

(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 67407230) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID67407230
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
SMILESC[C@@H](N[C@@H]1CCNC1)c1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H20N2.2ClH/c1-12(18-14-9-10-17-11-14)15-8-4-6-13-5-2-3-7-16(13)15;;/h2-8,12,14,17-18H,9-11H2,1H3;2*1H/t12-,14-;;/m1../s1
InChIKeyQOLKLDKJLWSIHG-OJNIYTAOSA-N
XLogP3.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
(3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride
CID 158985492
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 156776321
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
(3S)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;(3S)-N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine;(3S)-N-[(1R)-1-naphthalen-1-ylethyl]-1-(2-trityltetrazol-5-yl)pyrrolidin-3-amine;hydrochloride
CID 159644483
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
CID 43177589
(3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637660

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride (CID 67407230) is (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride is C[C@@H](N[C@@H]1CCNC1)c1cccc2ccccc12.Cl.Cl.
What is the InChIKey of (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is QOLKLDKJLWSIHG-OJNIYTAOSA-N. The full InChI is InChI=1S/C16H20N2.2ClH/c1-12(18-14-9-10-17-11-14)15-8-4-6-13-5-2-3-7-16(13)15;;/h2-8,12,14,17-18H,9-11H2,1H3;2*1H/t12-,14-;;/m1../s1.
What are the key properties of (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride?
(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 313.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 67407230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).