N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide

C11H22N2O — CID 88844465

IUPACN-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(CC)C(CC)CN
InChIInChI=1S/C11H22N2O/c1-5-9(8-12)11(4,7-3)13-10(14)6-2/h6,9H,2,5,7-8,12H2,1,3-4H3,(H,13,14)
InChIKeySDDYNHIPGUYWDD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.44
Rot. Bonds6

About N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide

N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide (PubChem CID 88844465) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide
PubChem CID88844465
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(CC)C(CC)CN
InChIInChI=1S/C11H22N2O/c1-5-9(8-12)11(4,7-3)13-10(14)6-2/h6,9H,2,5,7-8,12H2,1,3-4H3,(H,13,14)
InChIKeySDDYNHIPGUYWDD-UHFFFAOYSA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
azane;2-(prop-2-enoylamino)butane-2-sulfonic acid
CID 174864476
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
2-(prop-2-enoylamino)butan-2-yl hydrogen sulfate
CID 151282656
N-tert-butylprop-2-enamide;sulfane
CID 158648389
4-(aminomethyl)hexane-3,3-diol
CID 175462556
2-methylprop-2-enamide;2-(prop-2-enoylamino)butane-2-sulfonic acid
CID 174519235
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
1-hydroxy-2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 18784390

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide?
The IUPAC name of N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide (CID 88844465) is N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide?
The canonical SMILES for N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide is C=CC(=O)NC(C)(CC)C(CC)CN.
What is the InChIKey of N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide?
The InChIKey is SDDYNHIPGUYWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-9(8-12)11(4,7-3)13-10(14)6-2/h6,9H,2,5,7-8,12H2,1,3-4H3,(H,13,14).
What are the key properties of N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide?
N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide is sourced from PubChem (CID 88844465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).