7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride

C17H35ClN2O2 — CID 119795866

IUPAC7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride
SMILESCC(C)(C)C1OCCCC1CNC(=O)CCCCCCN.Cl
InChIInChI=1S/C17H34N2O2.ClH/c1-17(2,3)16-14(9-8-12-21-16)13-19-15(20)10-6-4-5-7-11-18;/h14,16H,4-13,18H2,1-3H3,(H,19,20);1H
InChIKeyQLHHRYHGALOUOT-UHFFFAOYSA-N
MW334.93 g/mol
LogP3.27
Rot. Bonds8

About 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride

7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride (PubChem CID 119795866) has the molecular formula C17H35ClN2O2 and a molecular weight of 334.93 g/mol. Its IUPAC name is 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride
PubChem CID119795866
Molecular FormulaC17H35ClN2O2
Molecular Weight334.93 g/mol
Exact Mass334.24
IUPAC Name7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride
SMILESCC(C)(C)C1OCCCC1CNC(=O)CCCCCCN.Cl
InChIInChI=1S/C17H34N2O2.ClH/c1-17(2,3)16-14(9-8-12-21-16)13-19-15(20)10-6-4-5-7-11-18;/h14,16H,4-13,18H2,1-3H3,(H,19,20);1H
InChIKeyQLHHRYHGALOUOT-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.93
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[(2-methylcyclohexyl)methyl]heptanamide
CID 55012025
4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide
CID 120592868
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride
CID 119724916
3-[(2-tert-butyloxan-3-yl)methylcarbamoyl-methylamino]propanoic acid
CID 122002792
3-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-1-cycloheptyl-1-methylurea
CID 99809170
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
CID 119951819
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride (CID 119795866) is 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride is CC(C)(C)C1OCCCC1CNC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride?
The InChIKey is QLHHRYHGALOUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2.ClH/c1-17(2,3)16-14(9-8-12-21-16)13-19-15(20)10-6-4-5-7-11-18;/h14,16H,4-13,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride?
7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride has a molecular weight of 334.93 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119795866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).