(3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine

C16H29N — CID 163132148

IUPAC(3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine
SMILESCN[C@]1(C(C)C)CC2[C@@]3(C)CC[C@]2(C)CC1C3
InChIInChI=1S/C16H29N/c1-11(2)16(17-5)10-13-14(3)6-7-15(13,4)9-12(16)8-14/h11-13,17H,6-10H2,1-5H3/t12?,13?,14-,15+,16-/m0/s1
InChIKeyGNXHLXGNNKYMQQ-NEADZQPHSA-N
MW235.41 g/mol
LogP3.84
Rot. Bonds2

About (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine

(3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine (PubChem CID 163132148) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine.

Molecular Properties

Compound Name(3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine
PubChem CID163132148
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine
SMILESCN[C@]1(C(C)C)CC2[C@@]3(C)CC[C@]2(C)CC1C3
InChIInChI=1S/C16H29N/c1-11(2)16(17-5)10-13-14(3)6-7-15(13,4)9-12(16)8-14/h11-13,17H,6-10H2,1-5H3/t12?,13?,14-,15+,16-/m0/s1
InChIKeyGNXHLXGNNKYMQQ-NEADZQPHSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine?
The IUPAC name of (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine (CID 163132148) is (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine.
What is the SMILES notation for (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine?
The canonical SMILES for (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine is CN[C@]1(C(C)C)CC2[C@@]3(C)CC[C@]2(C)CC1C3.
What is the InChIKey of (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine?
The InChIKey is GNXHLXGNNKYMQQ-NEADZQPHSA-N. The full InChI is InChI=1S/C16H29N/c1-11(2)16(17-5)10-13-14(3)6-7-15(13,4)9-12(16)8-14/h11-13,17H,6-10H2,1-5H3/t12?,13?,14-,15+,16-/m0/s1.
What are the key properties of (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine?
(3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine has a molecular weight of 235.41 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine is sourced from PubChem (CID 163132148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).