N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride

C17H22Cl2N2 — CID 45049608

IUPACN-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
SMILESCN(C)CCNC1c2ccccc2-c2ccccc21.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-19(2)12-11-18-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;;/h3-10,17-18H,11-12H2,1-2H3;2*1H
InChIKeyLSBLPFULLJWBED-UHFFFAOYSA-N
MW325.28 g/mol
LogP3.75
Rot. Bonds4

About N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride

N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride (PubChem CID 45049608) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
PubChem CID45049608
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC NameN-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
SMILESCN(C)CCNC1c2ccccc2-c2ccccc21.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-19(2)12-11-18-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;;/h3-10,17-18H,11-12H2,1-2H3;2*1H
InChIKeyLSBLPFULLJWBED-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)ethane-1,2-diamine
CID 171986586
N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine
CID 13464016
N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 3088239
bis(N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-dimethylethane-1,2-diamine);hydrate;hexahydrochloride
CID 24837897
N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine
CID 62636226
N-[2-(2-methylprop-2-enoxy)ethyl]-9H-fluoren-9-amine
CID 115977822
4-(9H-fluoren-9-ylamino)butanoic acid
CID 60782933
N-[(1-methylcyclopropyl)methyl]-9H-fluoren-9-amine
CID 103952180
3-[2-(dimethylamino)ethylamino]-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride
CID 160788965
3-[2-(9H-fluoren-9-ylamino)ethylsulfanyl]propan-1-ol
CID 103950773
N'-(9H-fluoren-9-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 144891877
11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 14502019

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride (CID 45049608) is N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride is CN(C)CCNC1c2ccccc2-c2ccccc21.Cl.Cl.
What is the InChIKey of N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride?
The InChIKey is LSBLPFULLJWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2.2ClH/c1-19(2)12-11-18-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;;/h3-10,17-18H,11-12H2,1-2H3;2*1H.
What are the key properties of N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride?
N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 45049608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).