trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride

C7H17ClN2 — CID 18442858

IUPACtrans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride
SMILESCl.N[C@@H]1CCCCC[C@H]1N
InChIInChI=1S/C7H16N2.ClH/c8-6-4-2-1-3-5-7(6)9;/h6-7H,1-5,8-9H2;1H/t6-,7-;/m1./s1
InChIKeyQEACAZYQQRVGBZ-ZJLYAJKPSA-N
MW164.68 g/mol
LogP1.03
Rot. Bonds

About trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride

trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride (PubChem CID 18442858) has the molecular formula C7H17ClN2 and a molecular weight of 164.68 g/mol. Its IUPAC name is trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride
PubChem CID18442858
Molecular FormulaC7H17ClN2
Molecular Weight164.68 g/mol
Exact Mass164.11
IUPAC Nametrans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride
SMILESCl.N[C@@H]1CCCCC[C@H]1N
InChIInChI=1S/C7H16N2.ClH/c8-6-4-2-1-3-5-7(6)9;/h6-7H,1-5,8-9H2;1H/t6-,7-;/m1./s1
InChIKeyQEACAZYQQRVGBZ-ZJLYAJKPSA-N
XLogP1.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cycloheptylamine
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Sampl4, C8
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Cycloheptane-1,4-diamine dihydrochloride
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1,4,7-Triaminoheptane
CID 164909
Cycloheptanamine, hydrochloride
CID 18421937
Cycloheptane-1,2-diamine
CID 431256
(1s,2s)-1,2-Pentyl-1,2-diaminoethane
CID 18947827
Cycloheptanamine;hydrochloride
CID 12290112
Cycloheptane-1,4-diamine
CID 19910813
Hexane-1,2,6-triamine
CID 14741028
1-(3-Aminopropyl)butane-1,4-diamine trihydrochloride
CID 129843814
Cycloheptylammonium chloride
CID 3085403

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride?
The IUPAC name of trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride (CID 18442858) is trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride is Cl.N[C@@H]1CCCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride?
The InChIKey is QEACAZYQQRVGBZ-ZJLYAJKPSA-N. The full InChI is InChI=1S/C7H16N2.ClH/c8-6-4-2-1-3-5-7(6)9;/h6-7H,1-5,8-9H2;1H/t6-,7-;/m1./s1.
What are the key properties of trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride?
trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride has a molecular weight of 164.68 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-cycloheptane-1,2-diamine;hydrochloride is sourced from PubChem (CID 18442858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).