(4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol

C14H27NO — CID 170144299

IUPAC(4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol
SMILESC=C(CCC)CN[C@H](CC)C(C)(C)C(=C)O
InChIInChI=1S/C14H27NO/c1-7-9-11(3)10-15-13(8-2)14(5,6)12(4)16/h13,15-16H,3-4,7-10H2,1-2,5-6H3/t13-/m1/s1
InChIKeyWDWCQPNLTFTMOT-CYBMUJFWSA-N
MW225.38 g/mol
LogP3.81
Rot. Bonds8

About (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol

(4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol (PubChem CID 170144299) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol.

Molecular Properties

Compound Name(4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol
PubChem CID170144299
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol
SMILESC=C(CCC)CN[C@H](CC)C(C)(C)C(=C)O
InChIInChI=1S/C14H27NO/c1-7-9-11(3)10-15-13(8-2)14(5,6)12(4)16/h13,15-16H,3-4,7-10H2,1-2,5-6H3/t13-/m1/s1
InChIKeyWDWCQPNLTFTMOT-CYBMUJFWSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol?
The IUPAC name of (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol (CID 170144299) is (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol.
What is the SMILES notation for (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol?
The canonical SMILES for (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol is C=C(CCC)CN[C@H](CC)C(C)(C)C(=C)O.
What is the InChIKey of (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol?
The InChIKey is WDWCQPNLTFTMOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-9-11(3)10-15-13(8-2)14(5,6)12(4)16/h13,15-16H,3-4,7-10H2,1-2,5-6H3/t13-/m1/s1.
What are the key properties of (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol?
(4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol has a molecular weight of 225.38 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-dimethyl-4-(2-methylidenepentylamino)hex-1-en-2-ol is sourced from PubChem (CID 170144299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).