cycloheptane-1,2,3,4,5,6,7-heptamine

C7H21N7 — CID 59073254

IUPACcycloheptane-1,2,3,4,5,6,7-heptamine
SMILESNC1C(N)C(N)C(N)C(N)C(N)C1N
InChIInChI=1S/C7H21N7/c8-1-2(9)4(11)6(13)7(14)5(12)3(1)10/h1-7H,8-14H2
InChIKeyNHTYMSZZJNFLDS-UHFFFAOYSA-N
MW203.29 g/mol
LogP-4.71
Rot. Bonds

About cycloheptane-1,2,3,4,5,6,7-heptamine

cycloheptane-1,2,3,4,5,6,7-heptamine (PubChem CID 59073254) has the molecular formula C7H21N7 and a molecular weight of 203.29 g/mol. Its IUPAC name is cycloheptane-1,2,3,4,5,6,7-heptamine.

Molecular Properties

Compound Namecycloheptane-1,2,3,4,5,6,7-heptamine
PubChem CID59073254
Molecular FormulaC7H21N7
Molecular Weight203.29 g/mol
Exact Mass203.19
IUPAC Namecycloheptane-1,2,3,4,5,6,7-heptamine
SMILESNC1C(N)C(N)C(N)C(N)C(N)C1N
InChIInChI=1S/C7H21N7/c8-1-2(9)4(11)6(13)7(14)5(12)3(1)10/h1-7H,8-14H2
InChIKeyNHTYMSZZJNFLDS-UHFFFAOYSA-N
XLogP-4.71
TPSA182.14 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500203.29
LogP ≤ 5-4.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cycloheptane-1,2,3,4,5,6,7-heptamine?
The IUPAC name of cycloheptane-1,2,3,4,5,6,7-heptamine (CID 59073254) is cycloheptane-1,2,3,4,5,6,7-heptamine.
What is the SMILES notation for cycloheptane-1,2,3,4,5,6,7-heptamine?
The canonical SMILES for cycloheptane-1,2,3,4,5,6,7-heptamine is NC1C(N)C(N)C(N)C(N)C(N)C1N.
What is the InChIKey of cycloheptane-1,2,3,4,5,6,7-heptamine?
The InChIKey is NHTYMSZZJNFLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H21N7/c8-1-2(9)4(11)6(13)7(14)5(12)3(1)10/h1-7H,8-14H2.
What are the key properties of cycloheptane-1,2,3,4,5,6,7-heptamine?
cycloheptane-1,2,3,4,5,6,7-heptamine has a molecular weight of 203.29 g/mol, XLogP of -4.71, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptane-1,2,3,4,5,6,7-heptamine is sourced from PubChem (CID 59073254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).