1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C16H29NO — CID 60689061

IUPAC1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCC1CCCCO1)C2
InChIInChI=1S/C16H29NO/c1-15(2)12-7-8-16(15,3)14(10-12)17-11-13-6-4-5-9-18-13/h12-14,17H,4-11H2,1-3H3
InChIKeyVPLUCWJDEBARTF-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds3

About 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 60689061) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID60689061
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCC1CCCCO1)C2
InChIInChI=1S/C16H29NO/c1-15(2)12-7-8-16(15,3)14(10-12)17-11-13-6-4-5-9-18-13/h12-14,17H,4-11H2,1-3H3
InChIKeyVPLUCWJDEBARTF-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 60689061) is 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCC1CCCCO1)C2.
What is the InChIKey of 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is VPLUCWJDEBARTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-15(2)12-7-8-16(15,3)14(10-12)17-11-13-6-4-5-9-18-13/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(oxan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 60689061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).