heptane-1,4,7-triamine;tetrahydrochloride

C7H23Cl4N3 — CID 172714614

IUPACheptane-1,4,7-triamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCCC(N)CCCN
InChIInChI=1S/C7H19N3.4ClH/c8-5-1-3-7(10)4-2-6-9;;;;/h7H,1-6,8-10H2;4*1H
InChIKeyFRSHRCCINGQVMH-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.48
Rot. Bonds6

About heptane-1,4,7-triamine;tetrahydrochloride

heptane-1,4,7-triamine;tetrahydrochloride (PubChem CID 172714614) has the molecular formula C7H23Cl4N3 and a molecular weight of 291.09 g/mol. Its IUPAC name is heptane-1,4,7-triamine;tetrahydrochloride.

Molecular Properties

Compound Nameheptane-1,4,7-triamine;tetrahydrochloride
PubChem CID172714614
Molecular FormulaC7H23Cl4N3
Molecular Weight291.09 g/mol
Exact Mass289.06
IUPAC Nameheptane-1,4,7-triamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCCC(N)CCCN
InChIInChI=1S/C7H19N3.4ClH/c8-5-1-3-7(10)4-2-6-9;;;;/h7H,1-6,8-10H2;4*1H
InChIKeyFRSHRCCINGQVMH-UHFFFAOYSA-N
XLogP1.48
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tridecane-1,4,7,10,13-pentamine
CID 86224803
octane-1,4,8-triamine
CID 18544198
pentacosane-1,13,25-triamine
CID 174653759
hexane-1,4-diamine;hydrochloride
CID 118144198
heptane-1,4-diamine
CID 18547393
tridecane-1,4,7,10-tetramine
CID 175128174
(2S)-2,5-diaminopentane-1-thiol
CID 175679057
7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
CID 172704929
octane-1,1,4,8-tetramine
CID 139682493
hexane-1,4-diamine;trihydrate
CID 173409010
octadecane-1,5-diamine
CID 154229011
undecane-1,6-diamine
CID 18419788

Frequently Asked Questions

What is the IUPAC name of heptane-1,4,7-triamine;tetrahydrochloride?
The IUPAC name of heptane-1,4,7-triamine;tetrahydrochloride (CID 172714614) is heptane-1,4,7-triamine;tetrahydrochloride.
What is the SMILES notation for heptane-1,4,7-triamine;tetrahydrochloride?
The canonical SMILES for heptane-1,4,7-triamine;tetrahydrochloride is Cl.Cl.Cl.Cl.NCCCC(N)CCCN.
What is the InChIKey of heptane-1,4,7-triamine;tetrahydrochloride?
The InChIKey is FRSHRCCINGQVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.4ClH/c8-5-1-3-7(10)4-2-6-9;;;;/h7H,1-6,8-10H2;4*1H.
What are the key properties of heptane-1,4,7-triamine;tetrahydrochloride?
heptane-1,4,7-triamine;tetrahydrochloride has a molecular weight of 291.09 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1,4,7-triamine;tetrahydrochloride is sourced from PubChem (CID 172714614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).