N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine

C14H27N — CID 123220043

IUPACN,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine
SMILESCC1CC2(CCC2C)CC1N(C)C(C)C
InChIInChI=1S/C14H27N/c1-10(2)15(5)13-9-14(8-11(13)3)7-6-12(14)4/h10-13H,6-9H2,1-5H3
InChIKeyNVBBTNXZEVILDJ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.54
Rot. Bonds2

About N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine

N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine (PubChem CID 123220043) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine.

Molecular Properties

Compound NameN,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine
PubChem CID123220043
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine
SMILESCC1CC2(CCC2C)CC1N(C)C(C)C
InChIInChI=1S/C14H27N/c1-10(2)15(5)13-9-14(8-11(13)3)7-6-12(14)4/h10-13H,6-9H2,1-5H3
InChIKeyNVBBTNXZEVILDJ-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine?
The IUPAC name of N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine (CID 123220043) is N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine.
What is the SMILES notation for N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine?
The canonical SMILES for N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine is CC1CC2(CCC2C)CC1N(C)C(C)C.
What is the InChIKey of N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine?
The InChIKey is NVBBTNXZEVILDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)15(5)13-9-14(8-11(13)3)7-6-12(14)4/h10-13H,6-9H2,1-5H3.
What are the key properties of N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine?
N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine has a molecular weight of 209.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-propan-2-ylspiro[3.4]octan-7-amine is sourced from PubChem (CID 123220043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).