1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine

C18H38N4 — CID 146623964

IUPAC1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine
SMILESCC1(C)C2CCC1(C)C(N)C2N.CC1(N)CCC(N)C1(C)C
InChIInChI=1S/C10H20N2.C8H18N2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11;1-7(2)6(9)4-5-8(7,3)10/h6-8H,4-5,11-12H2,1-3H3;6H,4-5,9-10H2,1-3H3
InChIKeyMRQDSJDXDZPKON-UHFFFAOYSA-N
MW310.53 g/mol
LogP1.95
Rot. Bonds

About 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine

1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine (PubChem CID 146623964) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine
PubChem CID146623964
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine
SMILESCC1(C)C2CCC1(C)C(N)C2N.CC1(N)CCC(N)C1(C)C
InChIInChI=1S/C10H20N2.C8H18N2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11;1-7(2)6(9)4-5-8(7,3)10/h6-8H,4-5,11-12H2,1-3H3;6H,4-5,9-10H2,1-3H3
InChIKeyMRQDSJDXDZPKON-UHFFFAOYSA-N
XLogP1.95
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine?
The IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine (CID 146623964) is 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine.
What is the SMILES notation for 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine?
The canonical SMILES for 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine is CC1(C)C2CCC1(C)C(N)C2N.CC1(N)CCC(N)C1(C)C.
What is the InChIKey of 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine?
The InChIKey is MRQDSJDXDZPKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C8H18N2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11;1-7(2)6(9)4-5-8(7,3)10/h6-8H,4-5,11-12H2,1-3H3;6H,4-5,9-10H2,1-3H3.
What are the key properties of 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine?
1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine has a molecular weight of 310.53 g/mol, XLogP of 1.95, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine;1,2,2-trimethylcyclopentane-1,3-diamine is sourced from PubChem (CID 146623964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).