[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride

C5H14Cl2N2 — CID 146026791

IUPAC[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CC1CN
InChIInChI=1S/C5H12N2.2ClH/c6-2-4-1-5(4)3-7;;/h4-5H,1-3,6-7H2;2*1H
InChIKeyCEFAWHWAKPTGEL-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.38
Rot. Bonds2

About [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride

[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride (PubChem CID 146026791) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
PubChem CID146026791
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC Name[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CC1CN
InChIInChI=1S/C5H12N2.2ClH/c6-2-4-1-5(4)3-7;;/h4-5H,1-3,6-7H2;2*1H
InChIKeyCEFAWHWAKPTGEL-UHFFFAOYSA-N
XLogP0.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)cyclobutyl]methanamine;hydrochloride
CID 175788563
(2-butylcyclopropyl)methanamine
CID 90757424
[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 101007268
[(1R,2R)-2-bromocyclopropyl]methanamine
CID 178200198
[2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
CID 155896271
(2-benzylcyclopropyl)methanamine
CID 56605942
(2-ethylcyclobutyl)methanamine
CID 58519219
[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 161192187
[(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 59926141
(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid
CID 102103507
2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 78144501
trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride
CID 163198683

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride?
The IUPAC name of [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride (CID 146026791) is [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride is Cl.Cl.NCC1CC1CN.
What is the InChIKey of [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride?
The InChIKey is CEFAWHWAKPTGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c6-2-4-1-5(4)3-7;;/h4-5H,1-3,6-7H2;2*1H.
What are the key properties of [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride?
[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride is sourced from PubChem (CID 146026791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).