(2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride

C7H17Cl2IN2 — CID 146380472

IUPAC(2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride
SMILESCC(C)N1CCC1(I)CN.Cl.Cl
InChIInChI=1S/C7H15IN2.2ClH/c1-6(2)10-4-3-7(10,8)5-9;;/h6H,3-5,9H2,1-2H3;2*1H
InChIKeyDLFQMJBAOMWPAA-UHFFFAOYSA-N
MW327.04 g/mol
LogP2.03
Rot. Bonds2

About (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride

(2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride (PubChem CID 146380472) has the molecular formula C7H17Cl2IN2 and a molecular weight of 327.04 g/mol. Its IUPAC name is (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride
PubChem CID146380472
Molecular FormulaC7H17Cl2IN2
Molecular Weight327.04 g/mol
Exact Mass325.98
IUPAC Name(2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride
SMILESCC(C)N1CCC1(I)CN.Cl.Cl
InChIInChI=1S/C7H15IN2.2ClH/c1-6(2)10-4-3-7(10,8)5-9;;/h6H,3-5,9H2,1-2H3;2*1H
InChIKeyDLFQMJBAOMWPAA-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.04
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-1,2-di(propan-2-yl)azetidine
CID 170383995
[1-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 103497578
4-iodo-1-propan-2-ylpiperidin-4-amine
CID 155455763
(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
CID 83907040
1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115452797
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
(1-methyl-4-propan-2-ylpiperidin-4-yl)methanamine
CID 82598285
CID 176557161
CID 176557161
ethane;4-propan-2-yl-4-azaspiro[2.4]heptane
CID 170635118
4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65384386
[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878

Frequently Asked Questions

What is the IUPAC name of (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride?
The IUPAC name of (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride (CID 146380472) is (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride is CC(C)N1CCC1(I)CN.Cl.Cl.
What is the InChIKey of (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride?
The InChIKey is DLFQMJBAOMWPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2.2ClH/c1-6(2)10-4-3-7(10,8)5-9;;/h6H,3-5,9H2,1-2H3;2*1H.
What are the key properties of (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride?
(2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride has a molecular weight of 327.04 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 146380472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).