bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride

C7H16Cl2N2 — CID 146472088

IUPACbicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CC2CC2CC1N
InChIInChI=1S/C7H14N2.2ClH/c8-6-2-4-1-5(4)3-7(6)9;;/h4-7H,1-3,8-9H2;2*1H
InChIKeyUMKPQRVACZJIFH-UHFFFAOYSA-N
MW199.12 g/mol
LogP0.91
Rot. Bonds

About bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride

bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride (PubChem CID 146472088) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride.

Molecular Properties

Compound Namebicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride
PubChem CID146472088
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Namebicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CC2CC2CC1N
InChIInChI=1S/C7H14N2.2ClH/c8-6-2-4-1-5(4)3-7(6)9;;/h4-7H,1-3,8-9H2;2*1H
InChIKeyUMKPQRVACZJIFH-UHFFFAOYSA-N
XLogP0.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bicyclo[2.2.1]heptane-2,5-diamine
CID 4169642
(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine
CID 11423598
(2S,3S,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 102239581
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 18958568
(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 102461320
4-propan-2-ylbicyclo[4.1.0]heptan-3-amine
CID 174265608
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
tricyclo[4.2.1.12,4]decan-5-amine
CID 123976925
trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride
CID 139022348
(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine
CID 125040803
(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride
CID 138987457
5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride
CID 155970536

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride?
The IUPAC name of bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride (CID 146472088) is bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride.
What is the SMILES notation for bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride?
The canonical SMILES for bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride is Cl.Cl.NC1CC2CC2CC1N.
What is the InChIKey of bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride?
The InChIKey is UMKPQRVACZJIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c8-6-2-4-1-5(4)3-7(6)9;;/h4-7H,1-3,8-9H2;2*1H.
What are the key properties of bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride?
bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride is sourced from PubChem (CID 146472088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).