N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen

C13H29NO — CID 156747368

IUPACN-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen
SMILESC=C(CC)NCCCCCCOC(C)C.[H][H]
InChIInChI=1S/C13H27NO.H2/c1-5-13(4)14-10-8-6-7-9-11-15-12(2)3;/h12,14H,4-11H2,1-3H3;1H
InChIKeyYBUIKIRXSTXQDV-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.73
Rot. Bonds10

About N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen

N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen (PubChem CID 156747368) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen
PubChem CID156747368
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen
SMILESC=C(CC)NCCCCCCOC(C)C.[H][H]
InChIInChI=1S/C13H27NO.H2/c1-5-13(4)14-10-8-6-7-9-11-15-12(2)3;/h12,14H,4-11H2,1-3H3;1H
InChIKeyYBUIKIRXSTXQDV-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-propan-2-yloxyhexylcarbamic acid
CID 126658630
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
1,6-di(propan-2-yloxy)hexane
CID 10899702
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
propyl N-(4-propan-2-yloxybutyl)carbamate
CID 149467433
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
CID 158348499
2-(2-methylprop-2-enyl)-1-(4-propan-2-yloxybutyl)guanidine;hydroiodide
CID 110029234

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen?
The IUPAC name of N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen (CID 156747368) is N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen.
What is the SMILES notation for N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen?
The canonical SMILES for N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen is C=C(CC)NCCCCCCOC(C)C.[H][H].
What is the InChIKey of N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen?
The InChIKey is YBUIKIRXSTXQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.H2/c1-5-13(4)14-10-8-6-7-9-11-15-12(2)3;/h12,14H,4-11H2,1-3H3;1H.
What are the key properties of N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen?
N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen has a molecular weight of 215.38 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen is sourced from PubChem (CID 156747368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).