heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine

C18H26N2 — CID 135013897

IUPACheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine
SMILESNC12CC3C4CC5C6CC7(N)CC5C(C4C1)C(C2)(C7)C36
InChIInChI=1S/C18H26N2/c19-16-2-10-8-1-9-12-4-17(20)5-13(9)15(11(8)3-16)18(6-16,7-17)14(10)12/h8-15H,1-7,19-20H2
InChIKeyDQCBVFKMKNBNPC-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.12
Rot. Bonds

About heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine

heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine (PubChem CID 135013897) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine.

Molecular Properties

Compound Nameheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine
PubChem CID135013897
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Nameheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine
SMILESNC12CC3C4CC5C6CC7(N)CC5C(C4C1)C(C2)(C7)C36
InChIInChI=1S/C18H26N2/c19-16-2-10-8-1-9-12-4-17(20)5-13(9)15(11(8)3-16)18(6-16,7-17)14(10)12/h8-15H,1-7,19-20H2
InChIKeyDQCBVFKMKNBNPC-UHFFFAOYSA-N
XLogP2.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine?
The IUPAC name of heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine (CID 135013897) is heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine.
What is the SMILES notation for heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine?
The canonical SMILES for heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine is NC12CC3C4CC5C6CC7(N)CC5C(C4C1)C(C2)(C7)C36.
What is the InChIKey of heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine?
The InChIKey is DQCBVFKMKNBNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c19-16-2-10-8-1-9-12-4-17(20)5-13(9)15(11(8)3-16)18(6-16,7-17)14(10)12/h8-15H,1-7,19-20H2.
What are the key properties of heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine?
heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine has a molecular weight of 270.42 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine is sourced from PubChem (CID 135013897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).