2-methyl-2-prop-2-enoxyhex-5-en-3-amine

C10H19NO — CID 87299855

IUPAC2-methyl-2-prop-2-enoxyhex-5-en-3-amine
SMILESC=CCOC(C)(C)C(N)CC=C
InChIInChI=1S/C10H19NO/c1-5-7-9(11)10(3,4)12-8-6-2/h5-6,9H,1-2,7-8,11H2,3-4H3
InChIKeyYWPCMQGEDTYCBJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.87
Rot. Bonds6

About 2-methyl-2-prop-2-enoxyhex-5-en-3-amine

2-methyl-2-prop-2-enoxyhex-5-en-3-amine (PubChem CID 87299855) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enoxyhex-5-en-3-amine.

Molecular Properties

Compound Name2-methyl-2-prop-2-enoxyhex-5-en-3-amine
PubChem CID87299855
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-2-prop-2-enoxyhex-5-en-3-amine
SMILESC=CCOC(C)(C)C(N)CC=C
InChIInChI=1S/C10H19NO/c1-5-7-9(11)10(3,4)12-8-6-2/h5-6,9H,1-2,7-8,11H2,3-4H3
InChIKeyYWPCMQGEDTYCBJ-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-phenylhex-5-en-3-amine
CID 63085538
5-amino-4-methylocta-1,7-diene-4-sulfonic acid
CID 22000776
2,2,4-trimethyl-4-prop-2-enoxypentane
CID 118027020
tert-butyl 2-aminopent-4-enoate;hydrochloride
CID 139035813
CID 87270455
CID 87270455
1,2-bis(prop-2-enoxy)propan-1-amine
CID 88546500
6,8,8-trimethylnon-1-en-4-amine
CID 115813808
(3S,5R)-2,3,5,6-tetramethyl-3-prop-2-enoxyheptane
CID 59926274
N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
CID 105107974
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pent-4-enoic acid
CID 87779163
3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 53444964
(4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene
CID 10562662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enoxyhex-5-en-3-amine?
The IUPAC name of 2-methyl-2-prop-2-enoxyhex-5-en-3-amine (CID 87299855) is 2-methyl-2-prop-2-enoxyhex-5-en-3-amine.
What is the SMILES notation for 2-methyl-2-prop-2-enoxyhex-5-en-3-amine?
The canonical SMILES for 2-methyl-2-prop-2-enoxyhex-5-en-3-amine is C=CCOC(C)(C)C(N)CC=C.
What is the InChIKey of 2-methyl-2-prop-2-enoxyhex-5-en-3-amine?
The InChIKey is YWPCMQGEDTYCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7-9(11)10(3,4)12-8-6-2/h5-6,9H,1-2,7-8,11H2,3-4H3.
What are the key properties of 2-methyl-2-prop-2-enoxyhex-5-en-3-amine?
2-methyl-2-prop-2-enoxyhex-5-en-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enoxyhex-5-en-3-amine is sourced from PubChem (CID 87299855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).